Geometry & MOs

Info

ID:	43529
PubChem CID:	10321426
Reduced:	SN2O5H20C24 (1)
Stoich.:	AB2C5D20E24 (1)
Weight, g/mol:	448.209718
ΔH_f, kcal/mol:	-100.72
Dipole, Da:	4.97
IP(EA), eV:	-8.85(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(1S,2R,6S)-2,4-diacetyloxy-6-methyl-5-oxo-7-oxabicyclo[4.1.0]heptan-3-yl]-6-methylhepta-1,5-dien-3-yl] (Z)-2-methylbut-2-enoate

Drug info:

PubChemData

Smile

CC1=C(N=C(S1)NC(=O)CC(=O)C)C2=CC3=C(C=C2)OC(=C(C3=O)OC)C4=CC=CC=C4

DOS

IR

Vibrations