Geometry & MOs

Info

ID:

221726

PubChem CID:

85286080

Reduced:

N6O8H30C31 (1)

Stoich.:

A6B8C30D31 (1)

Weight, g/mol:

614.218188

ΔHf, kcal/mol:

-242.5

Dipole, Da:

10.19

IP(EA), eV:

 -10.0(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-benzyl-3-[hydroxy-[phenyl(phenylmethoxycarbonylamino)methyl]phosphoryl]propanoyl]amino]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2(C(=O)N(C(=O)N2)CC(=O)NC(CC(=O)O)C(=O)NC(C3=CC=CC=C3)C(=O)O)C4=CC=C(C=C4)C(=N)N

DOS

IR

Vibrations