Geometry & MOs

Info

ID:	139027
PubChem CID:	52461257
Reduced:	ClFSN3O3C21H27 (1)
Stoich.:	ABCD3E3F21G27 (1)
Weight, g/mol:	291.077454
ΔH_f, kcal/mol:	-108.56
Dipole, Da:	21.37
IP(EA), eV:	-6.95(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-acetyl-N-(3-chloro-4-cyanophenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)[NH+](CCNC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)[N-]C2=CC=C(C=C2)F)C(C)C

DOS

IR

Vibrations