Geometry & MOs

Info

ID:	184992
PubChem CID:	77238659
Reduced:	ClSN3O4C25H30 (1)
Stoich.:	ABC3D4E25F30 (1)
Weight, g/mol:	609.131204
ΔH_f, kcal/mol:	-137.81
Dipole, Da:	3.91
IP(EA), eV:	-9.31(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[(4-chlorophenyl)sulfonyl-(2-oxoazepan-3-yl)amino]methyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide

Drug info:

PubChemData

Smile

C1CCNC(=O)C(C1)N(CC2=CC=C(C=C2)CC(=O)N3CCCC3)S(=O)(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations