Geometry & MOs

Info

ID:	148375
PubChem CID:	53788037
Reduced:	Cl2N2O3H10C11 (1)
Stoich.:	A2B2C3D10E11 (1)
Weight, g/mol:	178.020084
ΔH_f, kcal/mol:	-85.73
Dipole, Da:	4.6
IP(EA), eV:	-9.22(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3H-1,3,4-thiadiazol-2-ylidene)cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1Cl)C2C(=O)CC(=O)NN2)Cl

DOS

IR

Vibrations