Geometry & MOs

Info

ID:	229365
PubChem CID:	87567486
Reduced:	PSF2N2O10C23H29 (1)
Stoich.:	ABC2D2E10F23G29 (1)
Weight, g/mol:	277.006119
ΔH_f, kcal/mol:	-552.05
Dipole, Da:	1.9
IP(EA), eV:	-9.14(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(4-chlorophenyl)-1-(6-chloropyridin-2-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

COC(=O)C1=C(C=CC=C1OCCCCNC(=O)[C@H](CC2=CC=C(C=C2)OP(=O)(C(F)F)O)NS(=O)(=O)C)O

DOS

IR

Vibrations