Geometry & MOs

Info

ID:	55290
PubChem CID:	17390012
Reduced:	NSO3C13H13 (1)
Stoich.:	ABC3D13E13 (1)
Weight, g/mol:	255.0354
ΔH_f, kcal/mol:	-73.22
Dipole, Da:	6.11
IP(EA), eV:	-8.99(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-naphthalen-2-yl-1,3-thiazole-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OC)C)C2=CSC(=N2)C(=O)O

DOS

IR

Vibrations