Geometry & MOs

Info

ID:	245388
PubChem CID:	99444197
Reduced:	SN2O2C22H24 (1)
Stoich.:	AB2C2D22E24 (1)
Weight, g/mol:	468.219512
ΔH_f, kcal/mol:	-60.4
Dipole, Da:	2.17
IP(EA), eV:	-8.9(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-cyanophenyl)methyl]-5-(diethylsulfamoyl)-2-(4-methylpiperidin-1-yl)benzamide

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)NC2=C(S1)C=CC(=C2)C(=O)NC3CCC(CC3)C4=CC=CC=C4

DOS

IR

Vibrations