Geometry & MOs

Info

ID:	55326
PubChem CID:	17390055
Reduced:	NSO2H11C12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	311.061614
ΔH_f, kcal/mol:	-38.56
Dipole, Da:	5.66
IP(EA), eV:	-9.29(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-phenylmethoxyphenyl)-1,3-thiazole-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C2=CSC(=N2)C(=O)O)C

DOS

IR

Vibrations