Geometry & MOs

Info

ID:	313524
PubChem CID:	126615357
Reduced:	F2O2N3H9C16 (1)
Stoich.:	A2B2C3D9E16 (1)
Weight, g/mol:	443.01908
ΔH_f, kcal/mol:	-18.8
Dipole, Da:	6.74
IP(EA), eV:	-9.7(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromo-2-methoxyphenyl)sulfanyl-N-(4-methoxyphenyl)benzamide

Drug info:

PubChemData

Smile

C1=CC(=CC2C1N=CC(=N2)C#N)C(=O)C3=C(C=CC(=C3F)O)F

DOS

IR

Vibrations