Geometry & MOs

Info

ID:	121646
PubChem CID:	50775862
Reduced:	SN3O3C23H31 (1)
Stoich.:	AB3C3D23E31 (1)
Weight, g/mol:	397.167142
ΔH_f, kcal/mol:	-91.49
Dipole, Da:	2.37
IP(EA), eV:	-9.18(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-2,5-dimethoxy-N-(3-oxo-3-piperazin-1-ylpropyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)S(=O)(=O)N(CCC(=O)N2CCNCC2)CC(C)C3=CC=CC=C3

DOS

IR

Vibrations