Geometry & MOs

Info

ID:	437994
PubChem CID:	135227447
Reduced:	N2F3O4H23C24 (1)
Stoich.:	A2B3C4D23E24 (1)
Weight, g/mol:	300.056863
ΔH_f, kcal/mol:	-249.59
Dipole, Da:	2.9
IP(EA), eV:	-8.73(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-1-(3-cyanophenyl)ethylideneamino] benzenesulfonate

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)CN(C)CC2=C(C=CC(=C2)C3=C(C=C(C=C3)OC(F)(F)F)OC)OC=O

DOS

IR

Vibrations