Geometry & MOs

Info

ID:	149765
PubChem CID:	53789441
Reduced:	ClF2S2N6O8C24H25 (1)
Stoich.:	AB2C2D6E8F24G25 (1)
Weight, g/mol:	229.032126
ΔH_f, kcal/mol:	-325.4
Dipole, Da:	4.52
IP(EA), eV:	-8.91(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-amino-4-cyano-2-fluoro-5-(methoxysulfinylamino)benzene

Drug info:

PubChemData

Smile

CC(=O)CC(=O)NC1=C(C=C(C(=C1)NS(=O)OC)C#N)F.CC(=O)CC(=O)Cl.COS(=O)NC1=CC(=C(C=C1C#N)F)N

DOS

IR

Vibrations