Geometry & MOs

Info

ID:	233224
PubChem CID:	89449364
Reduced:	SO2N4C33H34 (1)
Stoich.:	AB2C4D33E34 (1)
Weight, g/mol:	536.055118
ΔH_f, kcal/mol:	41.23
Dipole, Da:	4.97
IP(EA), eV:	-8.34(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-aminooxy-4-(3,5-dichlorophenyl)-5,5,5-trifluoropent-1-en-2-yl]-N-(1,1-dioxothietan-3-yl)-2-methylbenzamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC2=CC(=CC=C2)C3=CC4=NC=CC(=C4S3)NC5=CC(=CC=C5)OCC6=CC=C(C=C6)OC

DOS

IR

Vibrations