Geometry & MOs

Info

ID:	158445
PubChem CID:	56463655
Reduced:	SF3O3N5C15H20 (1)
Stoich.:	AB3C3D5E15F20 (1)
Weight, g/mol:	421.05586
ΔH_f, kcal/mol:	-231.03
Dipole, Da:	10.45
IP(EA), eV:	-10.15(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromo-4,5-diethoxyphenyl)-N-(2-ethylsulfonylethyl)acetamide

Drug info:

PubChemData

Smile

CCS(=O)(=O)CCNC(=O)CCC1=C(N2C(=NC(=N2)C(F)(F)F)N=C1C)C

DOS

IR

Vibrations