Geometry & MOs

Info

ID:	393593
PubChem CID:	135021172
Reduced:	NSO4C16H23 (1)
Stoich.:	ABC4D16E23 (1)
Weight, g/mol:	449.177313
ΔH_f, kcal/mol:	-149.59
Dipole, Da:	4.66
IP(EA), eV:	-8.2(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]phenyl]phenyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CC(OC(=C2)C)C(C)(C)OC

DOS

IR

Vibrations