Geometry & MOs

Info

ID:	121969
PubChem CID:	50788542
Reduced:	SN3O3C24H33 (1)
Stoich.:	AB3C3D24E33 (1)
Weight, g/mol:	439.214092
ΔH_f, kcal/mol:	-97.48
Dipole, Da:	5.1
IP(EA), eV:	-8.69(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cycloheptyl-3,4-dimethoxy-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)CN(CC(=O)N2CCNCC2)S(=O)(=O)C3=CC=C(C=C3)C(C)C

DOS

IR

Vibrations