Geometry & MOs

Info

ID:	391368
PubChem CID:	135004528
Reduced:	N3O7C17H17 (1)
Stoich.:	A3B7C17D17 (1)
Weight, g/mol:	317.101171
ΔH_f, kcal/mol:	-161.39
Dipole, Da:	3.16
IP(EA), eV:	-9.4(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R)-2-cyano-2-[(3S)-1-methyl-3-(nitromethyl)-2-oxoindol-3-yl]acetate

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H](C#N)[C@]1(C2=CC=CC=C2N(C1=O)CC(=O)OC)C[N+](=O)[O-]

DOS

IR

Vibrations