Geometry & MOs

Info

ID:	391367
PubChem CID:	135004526
Reduced:	O3C15H20 (1)
Stoich.:	A3B15C20 (1)
Weight, g/mol:	375.10665
ΔH_f, kcal/mol:	-130.95
Dipole, Da:	1.81
IP(EA), eV:	-9.83(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCC(=O)CC1=CC=C(C=C1)C(=O)OCC

DOS

IR

Vibrations