Geometry & MOs

Info

ID:	387024
PubChem CID:	134983716
Reduced:	OC17H24 (1)
Stoich.:	AB17C24 (1)
Weight, g/mol:	293.072179
ΔH_f, kcal/mol:	-25.29
Dipole, Da:	2.19
IP(EA), eV:	-9.17(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-(2-hydroxyethylsulfanylmethyl)-1-(3-nitrophenyl)penta-2,4-dien-1-one

Drug info:

PubChemData

Smile

CCCCCC/C(=C\C=C)/[C@@H](C1=CC=CC=C1)O

DOS

IR

Vibrations