Geometry & MOs

Info

ID:	436118
PubChem CID:	135193895
Reduced:	NPO2H24C26 (1)
Stoich.:	ABC2D24E26 (1)
Weight, g/mol:	348.157288
ΔH_f, kcal/mol:	-10.74
Dipole, Da:	9.04
IP(EA), eV:	-8.96(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-O-[(4-methoxyphenyl)methyl] 1-O-(3-methylbut-2-enyl) (3S)-3-methyl-2-oxopentanedioate

Drug info:

PubChemData

Smile

C[C@@H](CC(=O)C(=P(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C#N)C(=O)C

DOS

IR

Vibrations