Geometry & MOs

Info

ID:	317222
PubChem CID:	126634428
Reduced:	SO2C12H22 (1)
Stoich.:	AB2C12D22 (1)
Weight, g/mol:	353.126323
ΔH_f, kcal/mol:	-129.97
Dipole, Da:	3.57
IP(EA), eV:	-9.07(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-benzyl-3-hydroxy-2-oxo-3-(2-oxoethyl)indol-5-yl]methyl acetate

Drug info:

PubChemData

Smile

CCCCSCC1(CCCCC1)C(=O)O

DOS

IR

Vibrations