Geometry & MOs

Info

ID:	69109
PubChem CID:	46518846
Reduced:	SF3N3O3C22H24 (1)
Stoich.:	AB3C3D3E22F24 (1)
Weight, g/mol:	492.07184
ΔH_f, kcal/mol:	-229.83
Dipole, Da:	5.49
IP(EA), eV:	-9.87(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromophenyl)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C1CC2CCC1C2)NS(=O)(=O)C3=CC=C(C=C3)NC(=O)C4=CN=C(C=C4)C(F)(F)F

DOS

IR

Vibrations