Geometry & MOs

Info

ID:	224739
PubChem CID:	85349142
Reduced:	S2C13H20 (1)
Stoich.:	A2B13C20 (1)
Weight, g/mol:	240.055322
ΔH_f, kcal/mol:	8.41
Dipole, Da:	2.4
IP(EA), eV:	-8.52(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chlorophenyl)but-2-enyl methyl carbonate

Drug info:

PubChemData

Smile

CC1(C2CC=C(C1C2)C3SCCCS3)C

DOS

IR

Vibrations