Geometry & MOs

Info

ID:	32541
PubChem CID:	7842915
Reduced:	SN2O3H18C23 (1)
Stoich.:	AB2C3D18E23 (1)
Weight, g/mol:	354.085186
ΔH_f, kcal/mol:	-14.39
Dipole, Da:	5.99
IP(EA), eV:	-9.03(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 2-(4-cyanophenoxy)acetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@@H](C(=O)OCC(=O)NC2=CC=CC(=C2)C#N)SC3=CC=CC=C3

DOS

IR

Vibrations