Geometry & MOs

Info

ID:

11875

PubChem CID:

122318

Reduced:

N5O7C30H37 (1)

Stoich.:

A5B7C30D37 (1)

Weight, g/mol:

579.269299

ΔHf, kcal/mol:

-267.75

Dipole, Da:

3.74

IP(EA), eV:

 -8.89(-0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[(2S)-1-[(2S)-2-[[1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]acetic acid

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C(=O)[C@H](CC2=CC=CC=C2)NC(=O)C3CCCN3C(=O)[C@H](CC4=CC=C(C=C4)O)N)C(=O)NCC(=O)O

DOS

IR

Vibrations