Geometry & MOs

Info

ID:	184882
PubChem CID:	77223566
Reduced:	NF3O4C21H22 (1)
Stoich.:	AB3C4D21E22 (1)
Weight, g/mol:	409.22868
ΔH_f, kcal/mol:	-292.29
Dipole, Da:	8.75
IP(EA), eV:	-8.97(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-[4-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]phenyl]hex-1-en-3-yl]-2-methylpropane-2-sulfinamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OC)OC2=CC=C(C=C2)C3(CC(CN3)C(F)(F)F)CC(=O)O

DOS

IR

Vibrations