Geometry & MOs

Info

ID:	23075
PubChem CID:	601562
Reduced:	O10C17H26 (1)
Stoich.:	A10B17C26 (1)
Weight, g/mol:	390.152597
ΔH_f, kcal/mol:	-450.08
Dipole, Da:	2.11
IP(EA), eV:	-10.12(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-hydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylate

Drug info:

PubChemData

Smile

CC1C(CC2C1C(OC=C2C(=O)OC)OC3C(C(C(C(O3)CO)O)O)O)O

DOS

IR

Vibrations