Geometry & MOs

Info

ID:	195756
PubChem CID:	78731355
Reduced:	SN2O3C20H20 (1)
Stoich.:	AB2C3D20E20 (1)
Weight, g/mol:	385.073242
ΔH_f, kcal/mol:	-25.95
Dipole, Da:	3.63
IP(EA), eV:	-8.43(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-[2-(3-methoxy-5-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-2(6),8-dien-12-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C=CC2=NC(=O)C3C4=C(CCCC4)SC3=N2)OC

DOS

IR

Vibrations