Geometry & MOs

Info

ID:	407188
PubChem CID:	135079513
Reduced:	NO6C20H25 (1)
Stoich.:	AB6C20D25 (1)
Weight, g/mol:	422.17057
ΔH_f, kcal/mol:	-249.6
Dipole, Da:	1.74
IP(EA), eV:	-8.64(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl 2-[(E)-4-diethoxyphosphoryloxybut-2-enyl]-2-(3-oxopropyl)propanedioate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)/C=C/1\C2=C(C=CC(=C2)OC)N(C1=O)C(=O)OC(C)(C)C

DOS

IR

Vibrations