Geometry & MOs

Info

ID:	234592
PubChem CID:	92303130
Reduced:	NSO4C22H23 (1)
Stoich.:	ABC4D22E23 (1)
Weight, g/mol:	370.250795
ΔH_f, kcal/mol:	-128.36
Dipole, Da:	5.14
IP(EA), eV:	-8.43(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[(1R,3R)-3-pentylcyclopentanecarbonyl]cyclohexyl]benzoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)/C=C/C2=CC3=CC=CC=C3O[C@H]2C

DOS

IR

Vibrations