Geometry & MOs

Info

ID:	245361
PubChem CID:	99443865
Reduced:	FN2O2C22H25 (1)
Stoich.:	AB2C2D22E25 (1)
Weight, g/mol:	450.11802
ΔH_f, kcal/mol:	-83.08
Dipole, Da:	7.97
IP(EA), eV:	-9.46(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-cyclopropyl-N-[(1R)-1-(2-fluorophenyl)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1F)N(C2CC2)C(=O)C[C@H](C3=CC=CC=C3)NC(=O)C

DOS

IR

Vibrations