Geometry & MOs

Info

ID:	19679
PubChem CID:	570235
Reduced:	ClN2O4C14H15 (1)
Stoich.:	AB2C4D14E15 (1)
Weight, g/mol:	310.072035
ΔH_f, kcal/mol:	-160.6
Dipole, Da:	4.71
IP(EA), eV:	-9.84(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[amino(benzamido)methylidene]-4-chloro-3-oxobutanoate

Drug info:

PubChemData

Smile

CCOC(=O)C(=C(N)NC(=O)C1=CC=CC=C1)C(=O)CCl

DOS

IR

Vibrations