Geometry & MOs

Info

ID:	146557
PubChem CID:	53704596
Reduced:	N2O3C18H22 (1)
Stoich.:	A2B3C18D22 (1)
Weight, g/mol:	382.995586
ΔH_f, kcal/mol:	-21.68
Dipole, Da:	8.95
IP(EA), eV:	-9.51(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-hydroxy-5-[3-(4-methylsulfonylphenyl)propa-1,2-dienyl]-2-sulfanylidene-1,3-thiazol-3-yl]acetic acid

Drug info:

PubChemData

Smile

CC(CCC1=CC=C(C=C1)[N+](=O)[O-])NC[C@@H](C2=CC=CC=C2)O

DOS

IR

Vibrations