Geometry & MOs

Info

ID:	391914
PubChem CID:	135010907
Reduced:	Cl2C9H14 (1)
Stoich.:	A2B9C14 (1)
Weight, g/mol:	336.13953
ΔH_f, kcal/mol:	-33.41
Dipole, Da:	2.23
IP(EA), eV:	-9.59(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-butyl-2-(3-phenylsulfanylprop-2-enyl)propanedioate

Drug info:

PubChemData

Smile

CC1(CCCC1C=C(Cl)Cl)C

DOS

IR

Vibrations