Geometry & MOs

Info

ID:	175364
PubChem CID:	75889704
Reduced:	N2S2O5C20H22 (1)
Stoich.:	A2B2C5D20E22 (1)
Weight, g/mol:	314.166865
ΔH_f, kcal/mol:	-153.55
Dipole, Da:	5.49
IP(EA), eV:	-8.4(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[2-(4-cyano-2-fluoroanilino)-1-(3-methoxyphenyl)ethyl]-dimethylazanium

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2N(C1=CC(=O)COC(=O)C3=C(C=CS3)NS(=O)(=O)C)C)C

DOS

IR

Vibrations