Geometry & MOs

Info

ID:	73821
PubChem CID:	48420563
Reduced:	N2O3H20C23 (1)
Stoich.:	A2B3C20D23 (1)
Weight, g/mol:	412.072907
ΔH_f, kcal/mol:	-25.26
Dipole, Da:	3.52
IP(EA), eV:	-9.22(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[phenyl(pyridin-4-yl)methyl] 2-(4-nitrophenyl)sulfonylacetate

Drug info:

PubChemData

Smile

C1CC1C(=O)NC2=CC=CC(=C2)C(=O)OC(C3=CC=CC=C3)C4=CC=NC=C4

DOS

IR

Vibrations