Geometry & MOs

Info

ID:	135917
PubChem CID:	51957042
Reduced:	SN2O5F6H16C18 (1)
Stoich.:	AB2C5D6E16F18 (1)
Weight, g/mol:	437.084104
ΔH_f, kcal/mol:	-469.46
Dipole, Da:	8.36
IP(EA), eV:	-8.72(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-3,4-dihydro-2H-quinolin-5-yl]-methylsulfonylazanide

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C=CC(=C1)S(=O)(=O)NC2=CC=CC=C2OC([C@H](C(F)(F)F)F)(F)F)OC

DOS

IR

Vibrations