Geometry & MOs

Info

ID:	161809
PubChem CID:	57392741
Reduced:	FNO4H22C24 (1)
Stoich.:	ABC4D22E24 (1)
Weight, g/mol:	336.06924
ΔH_f, kcal/mol:	-112.01
Dipole, Da:	3.93
IP(EA), eV:	-8.76(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(diaminomethylideneamino)sulfonylphenyl]-4-fluorobenzamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)/C=C/C(=O)C2=CC(=C(C=C2)N)C3=CC=C(C=C3)F

DOS

IR

Vibrations