Geometry & MOs

Info

ID:	393550
PubChem CID:	135021018
Reduced:	S2O5C18H24 (1)
Stoich.:	A2B5C18D24 (1)
Weight, g/mol:	426.153466
ΔH_f, kcal/mol:	-194.93
Dipole, Da:	6.29
IP(EA), eV:	-9.03(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-ethoxycarbothioylsulfanyl-4-(4-methoxy-3-methylphenyl)-3-methyl-4-oxobutyl] 2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CCOC(=S)SC(CC(C)C(=O)C1=CC(=C(C=C1)OC)C)OC(=O)C

DOS

IR

Vibrations