Geometry & MOs

Info

ID:	32994
PubChem CID:	7850008
Reduced:	SO4H20C22 (1)
Stoich.:	AB4C20D22 (1)
Weight, g/mol:	392.140593
ΔH_f, kcal/mol:	-106.41
Dipole, Da:	6.53
IP(EA), eV:	-9.64(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC2=CC=C(C=C2)C3=CC=CC=C3

DOS

IR

Vibrations