Geometry & MOs

Info

ID:	405901
PubChem CID:	135075900
Reduced:	Cl2N2O2H12C17 (1)
Stoich.:	A2B2C2D12E17 (1)
Weight, g/mol:	463.184232
ΔH_f, kcal/mol:	-18.1
Dipole, Da:	3.8
IP(EA), eV:	-9.69(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 5-methoxy-3-(3-methoxy-3-oxoprop-1-en-2-yl)-3-[(2-methylpropan-2-yl)oxycarbonyloxy]-2-oxoindole-1-carboxylate

Drug info:

PubChemData

Smile

C1CN(C(C2=C1C(=CC(=C2)Cl)Cl)C#N)C(=O)OC3=CC=CC=C3

DOS

IR

Vibrations