Geometry & MOs

Info

ID:

54160

PubChem CID:

14730449

Reduced:

N5O6C13H15 (1)

Stoich.:

A5B6C13D15 (1)

Weight, g/mol:

635.235629

ΔHf, kcal/mol:

-132.52

Dipole, Da:

5.86

IP(EA), eV:

 -10.06(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-phosphonooxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

CC1=CN(C(=O)NC1=O)C2CC(C(O2)CO)N3C=C(N=C3)[N+](=O)[O-]

DOS

IR

Vibrations