Geometry & MOs

Info

ID:	337824
PubChem CID:	127258447
Reduced:	SO2N4C7H12 (1)
Stoich.:	AB2C4D7E12 (1)
Weight, g/mol:	245.105193
ΔH_f, kcal/mol:	-26.47
Dipole, Da:	7.28
IP(EA), eV:	-9.76(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2E)-2-(3-oxo-1H-indol-2-ylidene)ethyl] butanoate

Drug info:

PubChemData

Smile

CCCC(=O)OCCNC1=NN=NS1

DOS

IR

Vibrations