Geometry & MOs

Info

ID:	193172
PubChem CID:	78353078
Reduced:	N2O2S2H14C15 (1)
Stoich.:	A2B2C2D14E15 (1)
Weight, g/mol:	387.071134
ΔH_f, kcal/mol:	1.62
Dipole, Da:	4.35
IP(EA), eV:	-8.64(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methoxyphenyl)-N-(12-oxo-10-sulfanylidene-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-2(6),8-dien-11-yl)acetamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1N2C(=O)C3C=C(SC3=NC2=S)C

DOS

IR

Vibrations