Geometry & MOs

Info

ID:	158175
PubChem CID:	56463104
Reduced:	SO3N5C22H35 (1)
Stoich.:	AB3C5D22E35 (1)
Weight, g/mol:	340.160935
ΔH_f, kcal/mol:	-88.79
Dipole, Da:	4.46
IP(EA), eV:	-8.72(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[cyclopropyl(methyl)amino]propyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)CCC(=O)NCC(C)N(C)C3CC3)C

DOS

IR

Vibrations