Geometry & MOs

Info

ID:	276335
PubChem CID:	103822250
Reduced:	SN2O3C11H20 (1)
Stoich.:	AB2C3D11E20 (1)
Weight, g/mol:	256.160935
ΔH_f, kcal/mol:	-146.13
Dipole, Da:	5.82
IP(EA), eV:	-9.79(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-(3-methylsulfanylcyclohexyl)pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1CS(=O)(=O)CCN1C(=O)C2(CCCN2)C

DOS

IR

Vibrations