Geometry & MOs

Info

ID:	158327
PubChem CID:	56463362
Reduced:	FSN2O2C23H25 (1)
Stoich.:	ABC2D2E23F25 (1)
Weight, g/mol:	455.149047
ΔH_f, kcal/mol:	-50.73
Dipole, Da:	3.11
IP(EA), eV:	-8.76(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[cyclopropyl(methyl)amino]propyl]-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide

Drug info:

PubChemData

Smile

CC(CNC(=O)C1=C(C2=C(C=CC=C2S1)F)COC3=CC=CC=C3)N(C)C4CC4

DOS

IR

Vibrations