Geometry & MOs

Info

ID:	39464
PubChem CID:	8140893
Reduced:	SN8C19H24 (1)
Stoich.:	AB8C19D24 (1)
Weight, g/mol:	390.140199
ΔH_f, kcal/mol:	120.44
Dipole, Da:	5.18
IP(EA), eV:	-8.59(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC2=NC(=NC(=N2)N)CSC3=NN=C(N3CC)C4CC4

DOS

IR

Vibrations