Geometry & MOs

Info

ID:	139689
PubChem CID:	52581118
Reduced:	N3O3H19C23 (1)
Stoich.:	A3B3C19D23 (1)
Weight, g/mol:	445.161326
ΔH_f, kcal/mol:	-23.8
Dipole, Da:	3.59
IP(EA), eV:	-8.67(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(cyclopropanecarbonyl)-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C[C@@]1(C(=O)N(C(=O)N1)CCOC2=CC3=CC=CC=C3C=C2)C4=CC=C(C=C4)C#N

DOS

IR

Vibrations