Geometry & MOs

Info

ID:	30681
PubChem CID:	841715
Reduced:	SN2O3C18H22 (1)
Stoich.:	AB2C3D18E22 (1)
Weight, g/mol:	291.183444
ΔH_f, kcal/mol:	-118.34
Dipole, Da:	1.19
IP(EA), eV:	-8.33(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,3S,4S)-3-[2-(cyclohexen-1-yl)ethylcarbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(O1)C)C(=O)NC2=C(C3=C(S2)CCCCCC3)C(=O)N

DOS

IR

Vibrations