Geometry & MOs

Info

ID:	26366
PubChem CID:	645411
Reduced:	FNO4H20C21 (1)
Stoich.:	ABC4D20E21 (1)
Weight, g/mol:	441.208613
ΔH_f, kcal/mol:	-154.69
Dipole, Da:	10.17
IP(EA), eV:	-9.4(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-benzylpiperidin-4-yl)-2-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfinylacetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)CC(C)O)C3=CC(=CC=C3)F)O

DOS

IR

Vibrations