Geometry & MOs

Info

ID:	61299
PubChem CID:	26708051
Reduced:	SN2O4C22H24 (1)
Stoich.:	AB2C4D22E24 (1)
Weight, g/mol:	451.079112
ΔH_f, kcal/mol:	-103.31
Dipole, Da:	5.05
IP(EA), eV:	-9.19(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-chlorothiophen-2-yl)methyl]-1-(2-cyanophenyl)sulfonyl-N-ethylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=CC(=CC=C1)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

DOS

IR

Vibrations