Geometry & MOs

Info

ID:	67770
PubChem CID:	46507132
Reduced:	OSN2H7C8 (2)
Stoich.:	ABC2D7E8 (2)
Weight, g/mol:	344.040168
ΔH_f, kcal/mol:	29.89
Dipole, Da:	2.15
IP(EA), eV:	-8.66(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[(2-methoxyphenyl)methyl]-12-sulfanylidene-5-thia-1,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,9-trien-7-one

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1CN2C(=O)C3=C(C=CS3)N4C2=NNC4=S

DOS

IR

Vibrations