Geometry & MOs

Info

ID:	393776
PubChem CID:	135021674
Reduced:	O3C13H16 (1)
Stoich.:	A3B13C16 (1)
Weight, g/mol:	384.106516
ΔH_f, kcal/mol:	-114.46
Dipole, Da:	3.56
IP(EA), eV:	-8.94(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-ethoxycarbothioylsulfanyl-4-(3-methoxy-4-methylphenyl)-3-methyl-4-oxobutyl] acetate

Drug info:

PubChemData

Smile

CC1CC(C2=C(C1=O)C=C(C(=C2)C)OC)O

DOS

IR

Vibrations