Geometry & MOs

Info

ID:	245582
PubChem CID:	99455441
Reduced:	NSO2C10H13 (2)
Stoich.:	ABC2D10E13 (2)
Weight, g/mol:	472.250812
ΔH_f, kcal/mol:	-142.99
Dipole, Da:	3.9
IP(EA), eV:	-8.96(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(S1)C)[C@@H](C)NC(=O)C2=CC(=CC=C2)S(=O)(=O)NC[C@H]3CCCO3

DOS

IR

Vibrations