Geometry & MOs

Info

ID:	391230
PubChem CID:	135003687
Reduced:	NOH11C14 (2)
Stoich.:	ABC11D14 (2)
Weight, g/mol:	337.046548
ΔH_f, kcal/mol:	82.6
Dipole, Da:	6.28
IP(EA), eV:	-9.65(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R)-2-[(3S)-7-chloro-3-(nitromethyl)-2-oxo-1H-indol-3-yl]-2-cyanoacetate

Drug info:

PubChemData

Smile

COC(=O)C(=C)[C@@H](C1=CC=CC=C1)[C@H](C2=CC=CC=C2)C(=C(C#N)C#N)C3=CC=CC=C3

DOS

IR

Vibrations