Geometry & MOs

Info

ID:	288808
PubChem CID:	104326261
Reduced:	FOSN3C14H14 (1)
Stoich.:	ABCD3E14F14 (1)
Weight, g/mol:	367.99943
ΔH_f, kcal/mol:	-16.02
Dipole, Da:	1.72
IP(EA), eV:	-8.38(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4-(4-ethoxy-3-fluoroanilino)benzenecarbothioamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)NC2=NC=CC(=C2)C(=S)N)F

DOS

IR

Vibrations