Geometry & MOs

Info

ID:	144991
PubChem CID:	53445599
Reduced:	NOSH9C10 (1)
Stoich.:	ABCD9E10 (1)
Weight, g/mol:	248.050715
ΔH_f, kcal/mol:	-5.05
Dipole, Da:	4.49
IP(EA), eV:	-9.05(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-4-(3-methylthiophen-2-yl)benzoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CS1)C2=CC=CC(=O)N2

DOS

IR

Vibrations