Geometry & MOs

Info

ID:	386768
PubChem CID:	134982860
Reduced:	OSiC26H42 (1)
Stoich.:	ABC26D42 (1)
Weight, g/mol:	383.119129
ΔH_f, kcal/mol:	-96.12
Dipole, Da:	3.09
IP(EA), eV:	-9.24(0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,4E)-2-(2-hydroxyethylsulfanylmethyl)-4-methyl-1-(3-nitrophenyl)-5-phenylpenta-2,4-dien-1-one

Drug info:

PubChemData

Smile

CCCCCCCCC(/C(=C\1/CCCC/C1=C\C2=CC=CC=C2)/[Si](C)(C)C)O

DOS

IR

Vibrations