Geometry & MOs

Info

ID:	328858
PubChem CID:	126728381
Reduced:	NSO3H11C14 (1)
Stoich.:	ABC3D11E14 (1)
Weight, g/mol:	329.035794
ΔH_f, kcal/mol:	-34.23
Dipole, Da:	15.61
IP(EA), eV:	-8.02(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-4-hydroxy-6-[(5Z)-5-(2-methyl-1H-pyridin-4-ylidene)thiophen-2-ylidene]cyclohexane-1,2,3,5-tetrone

Drug info:

PubChemData

Smile

CC1=C/C(=C\2/C=CC(=C3C(=O)C(C3=O)O)S2)/C=CN1

DOS

IR

Vibrations