Geometry & MOs

Info

ID:	223398
PubChem CID:	85334970
Reduced:	NOC21H29 (1)
Stoich.:	ABC21D29 (1)
Weight, g/mol:	315.947619
ΔH_f, kcal/mol:	-63.38
Dipole, Da:	5.14
IP(EA), eV:	-8.52(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2,6-dichloroanilino)-4-oxo-1,3-thiazol-5-ylidene]acetic acid

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C(=CC(=O)C3CCCCCC3)NC(C2)(C)C

DOS

IR

Vibrations