Geometry & MOs

Info

ID:

219884

PubChem CID:

85165006

Reduced:

O6N8C31H40 (1)

Stoich.:

A6B8C31D40 (1)

Weight, g/mol:

612.20591

ΔHf, kcal/mol:

-139.49

Dipole, Da:

13.96

IP(EA), eV:

 -9.54(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-benzyl-3-[hydroxy-[3-methylsulfanyl-1-(phenylmethoxycarbonylamino)propyl]phosphoryl]propanoyl]amino]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

CC1NC2CC3CCC(C3CC2C(=O)N1)N(CC#C)C4=CC=C(C=C4)C(=O)NC(CCC5=NN=NN5CC(=O)OC)C(=O)OC

DOS

IR

Vibrations