Geometry & MOs

Info

ID:	13333
PubChem CID:	225965
Reduced:	NCl3O4C7H8 (1)
Stoich.:	AB3C4D7E8 (1)
Weight, g/mol:	274.951891
ΔH_f, kcal/mol:	-179.75
Dipole, Da:	2.79
IP(EA), eV:	-10.99(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-oxo-4-[(2,2,2-trichloro-1-hydroxyethyl)amino]but-2-enoate

Drug info:

PubChemData

Smile

COC(=O)C=CC(=O)NC(C(Cl)(Cl)Cl)O

DOS

IR

Vibrations