Geometry & MOs

Info

ID:	36638
PubChem CID:	8010217
Reduced:	SN2O4H16C20 (1)
Stoich.:	AB2C4D16E20 (1)
Weight, g/mol:	400.998841
ΔH_f, kcal/mol:	-50.25
Dipole, Da:	3.43
IP(EA), eV:	-8.7(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-ethoxy-4-formylphenoxy)-N-(2,4,6-trichlorophenyl)acetamide

Drug info:

PubChemData

Smile

CC1=CSC(=N1)[C@@H](C#N)C(=O)COC(=O)C2=CC3=CC=CC=C3C=C2OC

DOS

IR

Vibrations