Geometry & MOs

Info

ID:	61719
PubChem CID:	26712143
Reduced:	SN4O4C24H28 (1)
Stoich.:	AB4C4D24E28 (1)
Weight, g/mol:	443.187878
ΔH_f, kcal/mol:	-113.02
Dipole, Da:	6.09
IP(EA), eV:	-9.28(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[4-[(2S,6S)-2,6-dimethylpiperidin-1-yl]sulfonylanilino]-3-oxopropyl]benzamide

Drug info:

PubChemData

Smile

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=C(C=C3)S(=O)(=O)N4[C@H](CCC[C@@H]4C)C

DOS

IR

Vibrations