Geometry & MOs

Info

ID:	175464
PubChem CID:	75908881
Reduced:	SN2O2C19H22 (1)
Stoich.:	AB2C2D19E22 (1)
Weight, g/mol:	463.286863
ΔH_f, kcal/mol:	-37.73
Dipole, Da:	5.79
IP(EA), eV:	-9.25(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(dimethylamino)-3-methylcyclohexyl]methyl]-1-(2,4,6-trimethylphenyl)sulfonylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C1=CC=CC=C1)C(=O)N2CCN(CC2)C(=O)C3=CSC=C3

DOS

IR

Vibrations