Geometry & MOs

Info

ID:	37690
PubChem CID:	8023283
Reduced:	NSO3C23H27 (1)
Stoich.:	ABC3D23E27 (1)
Weight, g/mol:	412.106848
ΔH_f, kcal/mol:	-92.13
Dipole, Da:	7.08
IP(EA), eV:	-9.48(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-pyrrolidin-1-ylsulfonyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide

Drug info:

PubChemData

Smile

C1CCC(C1)(C2=CC=CC=C2)C(=O)N(CC3=CC=CC=C3)[C@@H]4CCS(=O)(=O)C4

DOS

IR

Vibrations