Geometry & MOs

Info

ID:	392033
PubChem CID:	135012070
Reduced:	O5H34C37 (1)
Stoich.:	A5B34C37 (1)
Weight, g/mol:	296.162374
ΔH_f, kcal/mol:	-84.28
Dipole, Da:	2.42
IP(EA), eV:	-8.48(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(2S,4aS,5aR,9aS,10aR)-3-oxo-4,4a,5a,6,7,8,9,9a,10,10a-decahydropyrano[3,2-b]chromen-2-yl]acetate

Drug info:

PubChemData

Smile

C1COC2=C(C3=CC=CC=C3C=C2)C4=C(C=CC5=CC=CC=C54)OCCOCC67C8C9CC2C8C(O6)(CO1)C1C2C9C71

DOS

IR

Vibrations