Geometry & MOs

Info

ID:	79202
PubChem CID:	49747389
Reduced:	SF3N3O4C23H26 (1)
Stoich.:	AB3C3D4E23F26 (1)
Weight, g/mol:	562.191977
ΔH_f, kcal/mol:	-292.35
Dipole, Da:	10.61
IP(EA), eV:	-9.39(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[4-(1,1-dioxothiazinan-2-yl)phenyl]-N-[2-[1-(4-methylphenyl)sulfonylpiperidin-2-yl]ethyl]oxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2CCNC(=O)C(=O)NC3=CC=CC=C3C(F)(F)F

DOS

IR

Vibrations