Geometry & MOs

Info

ID:	57800
PubChem CID:	24277434
Reduced:	NSO2H13C14 (1)
Stoich.:	ABC2D13E14 (1)
Weight, g/mol:	299.061614
ΔH_f, kcal/mol:	-33.48
Dipole, Da:	6.57
IP(EA), eV:	-9.22(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]furan-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CC2=C(C1)SC(=N2)CC3=CC=C(C=C3)C(=O)O

DOS

IR

Vibrations