Geometry & MOs

Info

ID:	412426
PubChem CID:	135085317
Reduced:	F3O3C21H25 (1)
Stoich.:	A3B3C21D25 (1)
Weight, g/mol:	254.043522
ΔH_f, kcal/mol:	-280.74
Dipole, Da:	5.3
IP(EA), eV:	-9.24(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methoxyphenyl)-3,3-bis(methylsulfanyl)prop-2-enal

Drug info:

PubChemData

Smile

CC1=CC(=O)OC2=C1C=CC(=C2)OCCCCCCC/C=C/CC(F)(F)F

DOS

IR

Vibrations