Geometry & MOs

Info

ID:	146989
PubChem CID:	53776933
Reduced:	ON5C22H25 (1)
Stoich.:	AB5C22D25 (1)
Weight, g/mol:	324.990107
ΔH_f, kcal/mol:	98.05
Dipole, Da:	4.6
IP(EA), eV:	-8.31(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)-6-thiophen-2-ylhexa-3,5-dienoic acid

Drug info:

PubChemData

Smile

CCN(CCOCC)C1=CC(=C(C=C1)C(=CC2=CC=C(C=C2)N=[N+]=[N-])C#N)C

DOS

IR

Vibrations