Geometry & MOs

Info

ID:	156827
PubChem CID:	56394576
Reduced:	SN2O2C24H26 (1)
Stoich.:	AB2C2D24E26 (1)
Weight, g/mol:	482.198777
ΔH_f, kcal/mol:	-22.55
Dipole, Da:	2.87
IP(EA), eV:	-7.88(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-cyanophenyl)sulfonyl-N-[1-(4-methoxyphenyl)piperidin-4-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(SC=C2)C(=O)NC3CCN(CC3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations