Geometry & MOs

Info

ID:	366618
PubChem CID:	127320147
Reduced:	S2N3O3C17H29 (1)
Stoich.:	A2B3C3D17E29 (1)
Weight, g/mol:	319.153206
ΔH_f, kcal/mol:	-119.34
Dipole, Da:	6.26
IP(EA), eV:	-8.52(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1,3-benzodioxole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)C1CSCN1C(=O)C2CCC2)N3CCS(=O)CC3

DOS

IR

Vibrations