Geometry & MOs

Info

ID:	217680
PubChem CID:	85088205
Reduced:	O5C23H32 (1)
Stoich.:	A5B23C32 (1)
Weight, g/mol:	388.080301
ΔH_f, kcal/mol:	-220.63
Dipole, Da:	4.39
IP(EA), eV:	-9.4(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2,3-bis(phenylsulfanyl)but-2-enedioate

Drug info:

PubChemData

Smile

CC1(C(C2CCC(C2)(C1C(=O)OC)CCC(=O)OC)OCC3=CC=CC=C3)C

DOS

IR

Vibrations