Geometry & MOs

Info

ID:	366478
PubChem CID:	127319975
Reduced:	SN2O3C13H24 (1)
Stoich.:	AB2C3D13E24 (1)
Weight, g/mol:	383.166748
ΔH_f, kcal/mol:	-129.99
Dipole, Da:	0.68
IP(EA), eV:	-8.49(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)C1CCOC1)N2CCS(=O)CC2

DOS

IR

Vibrations