Geometry & MOs

Info

ID:	83989
PubChem CID:	49863091
Reduced:	NSO3H15C21 (1)
Stoich.:	ABC3D15E21 (1)
Weight, g/mol:	353.108565
ΔH_f, kcal/mol:	2.11
Dipole, Da:	8.34
IP(EA), eV:	-9.33(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-cyclohexyl-1,2-oxazol-4-yl)-5-phenylthiophene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NOC=C2C3=C(SC(=C3)C4=CC=CC=C4)C(=O)O

DOS

IR

Vibrations