Geometry & MOs

Info

ID:

80338

PubChem CID:

49834087

Reduced:

N3O4C16H24 (2)

Stoich.:

A3B4C16D24 (2)

Weight, g/mol:

680.364596

ΔHf, kcal/mol:

-374.84

Dipole, Da:

3.21

IP(EA), eV:

 -9.34(0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@@H]3CCCN3C(=O)[C@H]([C@@H](C)O)N

DOS

IR

Vibrations