Geometry & MOs

Info

ID:

328552

PubChem CID:

126724480

Reduced:

N12O15C65H116 (1)

Stoich.:

A12B15C65D116 (1)

Weight, g/mol:

438.215472

ΔHf, kcal/mol:

-526.72

Dipole, Da:

14.68

IP(EA), eV:

 -6.99(-2.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-1-[2-[[(4R)-4-carboxy-1-(4-phenylphenyl)pentan-2-yl]amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC[C@H]1C(=O)N(CC(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@@H](C(=O)N1)[C@@H]([C@H](C)C/C=C/C)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)[C@@H](C)OCCCC(=O)N(C)O)C)C

DOS

IR

Vibrations