Geometry & MOs

Info

ID:	446689
PubChem CID:	135276939
Reduced:	FO2N4C24H27 (1)
Stoich.:	AB2C4D24E27 (1)
Weight, g/mol:	677.370803
ΔH_f, kcal/mol:	-83.91
Dipole, Da:	3.94
IP(EA), eV:	-9.28(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(2R,3S,5R,6R)-5-amino-6-[(1R,2S,3S,4R,6S)-4,6-diamino-3-[(2S,3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-hydroxycyclohexyl]oxy-3-hydroxyoxan-2-yl]methyl]-2-[(2-amino-1-hydroxypropyl)amino]-3-(1H-imidazol-5-yl)propanamide

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(CC1=CN=CN1)NC(=O)C(C)NC(=O)C(C)C2=CC(=C(C=C2)C3=CC=CC=C3)F

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(CC1=CN=CN1)NC(=O)C(C)NC(=O)C(C)C2=CC(=C(C=C2)C3=CC=CC=C3)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):