Geometry & MOs

Info

ID:	398281
PubChem CID:	135032658
Reduced:	O2C23H36 (1)
Stoich.:	A2B23C36 (1)
Weight, g/mol:	586.03158
ΔH_f, kcal/mol:	-117.66
Dipole, Da:	2.2
IP(EA), eV:	-9.33(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-ethyl [1-[2-ethoxycarbothioylsulfanyl-3-(2-oxothiolan-3-yl)propoxy]carbonyloxy-3-(2-oxothiolan-3-yl)propan-2-yl]sulfanylmethanethioate

Drug info:

PubChemData

Smile

CC(C)CCCC(C)CC/C=C(\C)/CCC(=O)OCC1=CC=CC=C1

DOS

IR

Vibrations