Geometry & MOs

Info

ID:

16446

PubChem CID:

469346

Reduced:

ClN4O4C27H35 (1)

Stoich.:

AB4C4D27E35 (1)

Weight, g/mol:

514.234683

ΔHf, kcal/mol:

-178.83

Dipole, Da:

7.02

IP(EA), eV:

 -8.76(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4S)-1-[(2S,3S)-3-[(3-amino-2-methylbenzoyl)amino]-2-hydroxy-4-phenylbutanoyl]-N-tert-butyl-4-chloropyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1N)C(=O)N[C@@H](CC2=CC=CC=C2)[C@@H](C(=O)N3C[C@H](C[C@H]3C(=O)NC(C)(C)C)Cl)O

DOS

IR

Vibrations