Geometry & MOs

Info

ID:	234595
PubChem CID:	92303134
Reduced:	NSO4C24H25 (1)
Stoich.:	ABC4D24E25 (1)
Weight, g/mol:	370.250795
ΔH_f, kcal/mol:	-79.87
Dipole, Da:	4.78
IP(EA), eV:	-8.21(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)/C=C/C3=CC4=CC=CC=C4O[C@H]3C

DOS

IR

Vibrations