Geometry & MOs

Info

ID:	33326
PubChem CID:	7885975
Reduced:	OSN2H9C10 (2)
Stoich.:	ABC2D9E10 (2)
Weight, g/mol:	369.078327
ΔH_f, kcal/mol:	13.77
Dipole, Da:	1.88
IP(EA), eV:	-8.67(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NC3=CC=CC=C3C#N)CC=C)C

DOS

IR

Vibrations