Geometry & MOs

Info

ID:	67771
PubChem CID:	46507136
Reduced:	O2S2N4H12C15 (1)
Stoich.:	A2B2C4D12E15 (1)
Weight, g/mol:	319.986024
ΔH_f, kcal/mol:	36.63
Dipole, Da:	2.08
IP(EA), eV:	-8.66(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC=C1CN2C(=O)C3=C(C=CS3)N4C2=NNC4=S

DOS

IR

Vibrations