Geometry & MOs

Info

ID:

128203

PubChem CID:

51034834

Reduced:

O15N18C55H74 (1)

Stoich.:

A15B18C55D74 (1)

Weight, g/mol:

472.158547

ΔHf, kcal/mol:

-433.6

Dipole, Da:

7.65

IP(EA), eV:

 -8.01(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,4S)-N-[3,5-bis(trifluoromethyl)phenyl]-1-(2,6-dimethylphenyl)-3,4-dimethyl-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@H]([C@@H](C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CC5=CN=CN5)NC(=O)[C@H](CCC(=O)N)N)O

DOS

IR

Vibrations