Geometry & MOs

Info

ID:	393713
PubChem CID:	135021548
Reduced:	IO5H21C23 (1)
Stoich.:	AB5C21D23 (1)
Weight, g/mol:	426.153466
ΔH_f, kcal/mol:	-120.45
Dipole, Da:	5.22
IP(EA), eV:	-8.59(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C2CC(OC(=O)C2=C(C3=C1C=CC=C3OCC4=CC=CC=C4)OC)CI

DOS

IR

Vibrations