Geometry & MOs

Info

ID:	437786
PubChem CID:	135227070
Reduced:	SO2N4C25H28 (1)
Stoich.:	AB2C4D25E28 (1)
Weight, g/mol:	388.98967
ΔH_f, kcal/mol:	15.52
Dipole, Da:	3.11
IP(EA), eV:	-8.35(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-bromo-4-(2,4-difluorophenoxy)phenyl]methyl-ethyl-imino-oxo-lambda6-sulfane

Drug info:

PubChemData

Smile

CC(C)(C#N)S(=O)C1=CC(=C(C=C1)N2CCC3(CC3)CC2)C4=CN(C(=O)C5=C4C=CN5)C

DOS

IR

Vibrations