Geometry & MOs

Info

ID:	152234
PubChem CID:	56311121
Reduced:	SO2N4C27H30 (1)
Stoich.:	AB2C4D27E30 (1)
Weight, g/mol:	422.177647
ΔH_f, kcal/mol:	-18.69
Dipole, Da:	6.39
IP(EA), eV:	-8.7(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzothiazol-2-yl)-2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC(=O)NC3=CC=CC(=C3)CSC4=CC=CC=N4

DOS

IR

Vibrations