Geometry & MOs

Info

ID:	391038
PubChem CID:	135002388
Reduced:	SN3H15C22 (1)
Stoich.:	AB3C15D22 (1)
Weight, g/mol:	337.046548
ΔH_f, kcal/mol:	181.69
Dipole, Da:	4.37
IP(EA), eV:	-9.05(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R)-2-[(3S)-5-chloro-3-(nitromethyl)-2-oxo-1H-indol-3-yl]-2-cyanoacetate

Drug info:

PubChemData

Smile

C=C(C#N)[C@H]([C@@H]1CSC2=CC=CC=C2C1=C(C#N)C#N)C3=CC=CC=C3

DOS

IR

Vibrations