Geometry & MOs

Info

ID:	299815
PubChem CID:	117695716
Reduced:	PN2O7C32H37 (1)
Stoich.:	AB2C7D32E37 (1)
Weight, g/mol:	314.172939
ΔH_f, kcal/mol:	-257.47
Dipole, Da:	3.25
IP(EA), eV:	-8.78(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-4-methyl-2-[2-[2-(2-methylprop-2-enoyloxy)ethoxy]-2-oxoethyl]pentanoic acid

Drug info:

PubChemData

Smile

CCOP(=O)(C1=CC=CC=C1)C2=CC(=CC(=N2)COC(=O)C)C#CC3=CC=C(C=C3)OCCCNC(=O)OC(C)(C)C

DOS

IR

Vibrations