Geometry & MOs

Info

ID:	350328
PubChem CID:	127277406
Reduced:	SN2O4C20H30 (1)
Stoich.:	AB2C4D20E30 (1)
Weight, g/mol:	307.214744
ΔH_f, kcal/mol:	-184.09
Dipole, Da:	9.72
IP(EA), eV:	-9.38(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-cyclohexyl-2-hydroxyethyl)-9-oxobicyclo[3.3.1]nonane-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)NCC(C3CCCCC3)O

DOS

IR

Vibrations