Geometry & MOs

Info

ID:	150394
PubChem CID:	53790083
Reduced:	N2O3C24H28 (1)
Stoich.:	A2B3C24D28 (1)
Weight, g/mol:	364.055149
ΔH_f, kcal/mol:	-102.58
Dipole, Da:	8.01
IP(EA), eV:	-8.34(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)hex-4-enoylamino]benzoic acid

Drug info:

PubChemData

Smile

CCCCN1C(=C(NC1=O)CCC)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O

DOS

IR

Vibrations