Geometry & MOs

Info

ID:	139525
PubChem CID:	52549031
Reduced:	ClN2O3C20H25 (1)
Stoich.:	AB2C3D20E25 (1)
Weight, g/mol:	322.062343
ΔH_f, kcal/mol:	-98.1
Dipole, Da:	6.21
IP(EA), eV:	-9.2(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone

Drug info:

PubChemData

Smile

COC(=O)[C@H](C1=CC=CC=C1Cl)N2CCN(CC2)C(=O)C[C@H]3CCC=C3

DOS

IR

Vibrations