Geometry & MOs

Info

ID:	193642
PubChem CID:	78417813
Reduced:	N2O6C37H38 (1)
Stoich.:	A2B6C37D38 (1)
Weight, g/mol:	456.199547
ΔH_f, kcal/mol:	-153.98
Dipole, Da:	2.51
IP(EA), eV:	-8.97(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(hydroxymethyl)-2-methoxy-4,5-di(pent-4-enoyloxy)oxan-3-yl] 4-oxopentanoate

Drug info:

PubChemData

Smile

CC1CCC(CC1)OC(=O)C2=C(OC3=C(C=C(C=C23)CC(C(=O)NCCO)NC(=O)C)C#CC4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations