Geometry & MOs

Info

ID:	28094
PubChem CID:	825491
Reduced:	N3O3C18H25 (1)
Stoich.:	A3B3C18D25 (1)
Weight, g/mol:	287.011599
ΔH_f, kcal/mol:	-104.4
Dipole, Da:	5.79
IP(EA), eV:	-8.9(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(3,3-dichloro-2-oxoindol-1-yl)acetate

Drug info:

PubChemData

Smile

CCC[C@H](C)C1(C(=O)NC(=NC1=O)NC2=CC=CC=C2OC)CC

DOS

IR

Vibrations