Geometry & MOs

Info

ID:	127420
PubChem CID:	51001582
Reduced:	PN4O10C15H27 (1)
Stoich.:	AB4C10D15E27 (1)
Weight, g/mol:	528.189
ΔH_f, kcal/mol:	-511.15
Dipole, Da:	7.83
IP(EA), eV:	-9.63(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,4S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3R)-2-amino-3-methylpentanoate;4-methylbenzenesulfonic 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@@H](C)[C@H](C(=O)OC[C@@H]1[C@H]([C@@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O)N.OP(=O)(O)O

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@@H](C)[C@H](C(=O)OC[C@@H]1[C@H]([C@@H]([C@@H](O1)N2C=CC(=NC2=O)N)O)O)N.OP(=O)(O)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):