Geometry & MOs

Info

ID:	413461
PubChem CID:	135086410
Reduced:	SO3H16C19 (1)
Stoich.:	AB3C16D19 (1)
Weight, g/mol:	257.993985
ΔH_f, kcal/mol:	-49.93
Dipole, Da:	4.73
IP(EA), eV:	-8.84(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)C(C=O)C2=CC=CC3=CC=CC=C32

DOS

IR

Vibrations