Geometry & MOs

Info

ID:	45166
PubChem CID:	10508622
Reduced:	N4O7C37H54 (1)
Stoich.:	A4B7C37D54 (1)
Weight, g/mol:	629.158167
ΔH_f, kcal/mol:	-331.0
Dipole, Da:	3.43
IP(EA), eV:	-9.48(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4S,5R,6R)-5-[(2-aminoacetyl)amino]-2-[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)(C)OC(=O)N[C@@H](COCC1=CC=CC=C1)C(=O)N[C@@H](CCCCNC(=O)OCC2=CC=CC=C2)C(=O)NCCC3CCCCC3

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC(C)(C)OC(=O)N[C@@H](COCC1=CC=CC=C1)C(=O)N[C@@H](CCCCNC(=O)OCC2=CC=CC=C2)C(=O)NCCC3CCCCC3

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):