Geometry & MOs

Info

ID:	393549
PubChem CID:	135021017
Reduced:	NO3C17H23 (1)
Stoich.:	AB3C17D23 (1)
Weight, g/mol:	384.106516
ΔH_f, kcal/mol:	-136.68
Dipole, Da:	3.47
IP(EA), eV:	-9.56(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1[C@@H](CN(C1=O)C(C)(C)C)C2=CC=CC=C2

DOS

IR

Vibrations