Geometry & MOs

Info

ID:	155810
PubChem CID:	56367644
Reduced:	SN3O4C24H31 (1)
Stoich.:	AB3C4D24E31 (1)
Weight, g/mol:	416.176979
ΔH_f, kcal/mol:	-127.52
Dipole, Da:	1.22
IP(EA), eV:	-8.72(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(azepan-1-ylsulfonyl)-4-methoxy-N-methyl-N-(4-methylphenyl)benzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N(C)C(=O)C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)N4CCOCC4

DOS

IR

Vibrations