Geometry & MOs

Info

ID:	229356
PubChem CID:	87567469
Reduced:	PSF2N2O7H25C28 (1)
Stoich.:	ABC2D2E7F25G28 (1)
Weight, g/mol:	1105.333428
ΔH_f, kcal/mol:	-335.94
Dipole, Da:	5.09
IP(EA), eV:	-8.99(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-amino-1-bis[3-[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]oxy-1-(6-oxo-1H-pyridine-3-carbonyl)oxypropoxy]phosphoryl-1-hydroxybutyl]phosphonic 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

C1=CC=C(C=C1)OC2=CC=CC(=C2)NC(=O)[C@H](CC3=CC=C(C=C3)OP(=O)(C(F)F)O)NS(=O)(=O)C4=CC=CC=C4

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

C1=CC=C(C=C1)OC2=CC=CC(=C2)NC(=O)[C@H](CC3=CC=C(C=C3)OP(=O)(C(F)F)O)NS(=O)(=O)C4=CC=CC=C4

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):