Geometry & MOs

Info

ID:	162573
PubChem CID:	57395107
Reduced:	SN2O3C19H34 (1)
Stoich.:	AB2C3D19E34 (1)
Weight, g/mol:	432.169448
ΔH_f, kcal/mol:	-182.29
Dipole, Da:	2.69
IP(EA), eV:	-9.41(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cycloheptyl-1-[4-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCCC(CC1)NC(=O)C2CCN(CC2)S(=O)(=O)C3CCCCC3

DOS

IR

Vibrations