Geometry & MOs

Info

ID:	153246
PubChem CID:	56312409
Reduced:	ClO3N4C24H29 (1)
Stoich.:	AB3C4D24E29 (1)
Weight, g/mol:	445.203528
ΔH_f, kcal/mol:	-97.25
Dipole, Da:	2.24
IP(EA), eV:	-8.99(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-dimethyl-4-[2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]ethoxy]benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)N(C)CC(=O)NC3=CC=CC=C3Cl

DOS

IR

Vibrations