Geometry & MOs

Info

ID:	157014
PubChem CID:	56405376
Reduced:	FSN3O3C21H28 (1)
Stoich.:	ABC3D3E21F28 (1)
Weight, g/mol:	354.111517
ΔH_f, kcal/mol:	-145.94
Dipole, Da:	6.95
IP(EA), eV:	-8.62(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[1-(difluoromethyl)imidazol-2-yl]ethyl]-5-oxo-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CCN(CCNC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)F)C)C(C)C

DOS

IR

Vibrations