Geometry & MOs

Info

ID:

218868

PubChem CID:

85090087

Reduced:

FO5N7H21C25 (1)

Stoich.:

AB5C7D21E25 (1)

Weight, g/mol:

519.213437

ΔHf, kcal/mol:

-108.21

Dipole, Da:

2.11

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.805825

Charge, e:

 0

Chem-info

IUPAC name:

[1-[(1-amino-1-oxopropan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]oxy-[2-phenyl-1-(phenylmethoxycarbonylamino)ethyl]phosphinic acid

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)CC2=NC3=[N+](C(=O)N(C(=O)C3=N2)CC4=CC=CC=C4F)CCC5=NNC(=O)O5

DOS

IR

Vibrations