Geometry & MOs

Info

ID:	345193
PubChem CID:	127268953
Reduced:	SO3N4C19H30 (1)
Stoich.:	AB3C4D19E30 (1)
Weight, g/mol:	394.203862
ΔH_f, kcal/mol:	-117.41
Dipole, Da:	5.98
IP(EA), eV:	-8.92(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-(4-acetylpiperazin-1-yl)phenyl]methyl]azepane-1-sulfonamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)S(=O)(=O)NCC2=CC=CC=C2N3CCN(CC3)C(=O)C

DOS

IR

Vibrations