Geometry & MOs

Info

ID:	123053
PubChem CID:	50831523
Reduced:	ON2C23H24 (1)
Stoich.:	AB2C23D24 (1)
Weight, g/mol:	343.135448
ΔH_f, kcal/mol:	-1.26
Dipole, Da:	5.02
IP(EA), eV:	-8.43(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-benzoyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=CC(=C(N2)C)C(=O)N3CCC4=CC=CC=C4C3)C

DOS

IR

Vibrations