Geometry & MOs

Info

ID:	182245
PubChem CID:	76863148
Reduced:	SN2O3H18C21 (1)
Stoich.:	AB2C3D18E21 (1)
Weight, g/mol:	310.061692
ΔH_f, kcal/mol:	-32.05
Dipole, Da:	3.08
IP(EA), eV:	-8.62(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(difluoromethoxy)phenyl]-1-(2,4-difluorophenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N3CCC(=CC4=CC5=C(O4)C(=CC=C5)OC)C3=N2)C

DOS

IR

Vibrations