Geometry & MOs

Info

ID:	73798
PubChem CID:	48420482
Reduced:	SN2O4H16C20 (1)
Stoich.:	AB2C4D16E20 (1)
Weight, g/mol:	389.162708
ΔH_f, kcal/mol:	-4.85
Dipole, Da:	7.96
IP(EA), eV:	-9.54(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[phenyl(pyridin-4-yl)methyl] 4-(4-ethoxyphenyl)-4-oxobutanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=CC=NC=C2)OC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations