Geometry & MOs

Info

ID:	27334
PubChem CID:	820726
Reduced:	NOSC12H17 (1)
Stoich.:	ABCD12E17 (1)
Weight, g/mol:	252.082016
ΔH_f, kcal/mol:	-44.8
Dipole, Da:	3.21
IP(EA), eV:	-9.25(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(thiophene-2-carbonyl)cyclohexyl]acetic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)(CC(=O)N)C2=CC=CS2

DOS

IR

Vibrations