Geometry & MOs

Info

ID:	222383
PubChem CID:	85297322
Reduced:	SO5C23H28 (1)
Stoich.:	AB5C23D28 (1)
Weight, g/mol:	416.111602
ΔH_f, kcal/mol:	-143.9
Dipole, Da:	6.47
IP(EA), eV:	-8.11(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(2,2-dimethyl-1,3-dioxolan-4-yl)-4,4-bis(phenylsulfanyl)but-2-enoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)C=C(CCC2(OCCO2)C)C3=CC(=C(C=C3)OC)OC

DOS

IR

Vibrations