Geometry & MOs

Info

ID:	310511
PubChem CID:	126581298
Reduced:	SCl2O2C20H26 (1)
Stoich.:	AB2C2D20E26 (1)
Weight, g/mol:	248.131349
ΔH_f, kcal/mol:	-79.48
Dipole, Da:	2.5
IP(EA), eV:	-8.53(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCC/C(=C(\C=CCCl)/C(=O)C1=CC(=CC=C1)SOCC(C)(C)C)/Cl

DOS

IR

Vibrations