Geometry & MOs

Info

ID:	73809
PubChem CID:	48420495
Reduced:	ClNO2H16C20 (1)
Stoich.:	ABC2D16E20 (1)
Weight, g/mol:	374.108899
ΔH_f, kcal/mol:	-14.48
Dipole, Da:	2.46
IP(EA), eV:	-9.58(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[phenyl(pyridin-4-yl)methyl] 2-[(4-cyanophenyl)methylsulfanyl]acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=CC=NC=C2)OC(=O)CC3=CC=C(C=C3)Cl

DOS

IR

Vibrations