Geometry & MOs

Info

ID:	314092
PubChem CID:	126620383
Reduced:	ClSO2N8H13C17 (1)
Stoich.:	ABC2D8E13F17 (1)
Weight, g/mol:	376.082599
ΔH_f, kcal/mol:	155.28
Dipole, Da:	2.71
IP(EA), eV:	-8.97(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-(4-chlorophenyl)-2-nitro-5-oxo-3-pyridin-3-ylpentanoate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1)C2=CC(=CC(=C2)N=O)C3=NC(=NN3)SCC4=NNN=N4)Cl

DOS

IR

Vibrations