Geometry & MOs

Info

ID:	395584
PubChem CID:	135025890
Reduced:	NO3C7H8 (2)
Stoich.:	AB3C7D8 (2)
Weight, g/mol:	312.051299
ΔH_f, kcal/mol:	-150.06
Dipole, Da:	3.58
IP(EA), eV:	-8.53(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(3S)-5-chloro-1-methyl-3-(nitromethyl)-2-oxoindol-3-yl]acetate

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)OC)[C@@](C1=O)(CC(=O)OC)C[N+](=O)[O-]

DOS

IR

Vibrations