Geometry & MOs

Info

ID:	205266
PubChem CID:	80077678
Reduced:	SO3C17H18 (1)
Stoich.:	AB3C17D18 (1)
Weight, g/mol:	276.147393
ΔH_f, kcal/mol:	-75.61
Dipole, Da:	4.46
IP(EA), eV:	-8.64(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[(2-methylpyridine-3-carbonyl)amino]cyclohexyl]acetic acid

Drug info:

PubChemData

Smile

CC1=CC=CC=C1SCC(=O)C2=CC(=CC(=C2)OC)OC

DOS

IR

Vibrations