Geometry & MOs

Info

ID:	337243
PubChem CID:	127256808
Reduced:	SO4N6C15H26 (1)
Stoich.:	AB4C6D15E26 (1)
Weight, g/mol:	277.131408
ΔH_f, kcal/mol:	-49.3
Dipole, Da:	7.23
IP(EA), eV:	-8.11(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-(ethoxymethylidene)-N-(2-ethoxyphenyl)-3-oxobutanamide

Drug info:

PubChemData

Smile

CCN(CC)C1=CC=C(C=C1)N/N=C\2/N=[N+](CN2C)C.COS(=O)(=O)[O-]

DOS

IR

Vibrations