Geometry & MOs

Info

ID:	182628
PubChem CID:	76916900
Reduced:	OSN3C14H19 (1)
Stoich.:	ABC3D14E19 (1)
Weight, g/mol:	323.112605
ΔH_f, kcal/mol:	19.48
Dipole, Da:	3.33
IP(EA), eV:	-8.57(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-[2-(dimethylamino)-2-methylpropyl]-10-sulfanylidene-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-2(6),8-dien-12-one

Drug info:

PubChemData

Smile

CC(C)(CN1C(=O)C2C=CC=CC2=NC1=S)N(C)C

DOS

IR

Vibrations