Geometry & MOs

Info

ID:	329172
PubChem CID:	126731494
Reduced:	ClN3F5H15C22 (1)
Stoich.:	AB3C5D15E22 (1)
Weight, g/mol:	293.068592
ΔH_f, kcal/mol:	-177.27
Dipole, Da:	5.92
IP(EA), eV:	-8.95(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-ethylphenyl)sulfanylamino]-2,6-difluorobenzaldehyde

Drug info:

PubChemData

Smile

CC1=C2C(=CNC2=NC=C1Cl)CC3=C(C=CC(=C3F)NC4=CC=C(C=C4)C(F)(F)F)F

DOS

IR

Vibrations