Geometry & MOs

Info

ID:	26156
PubChem CID:	639229
Reduced:	N2O3C8H16 (1)
Stoich.:	A2B3C8D16 (1)
Weight, g/mol:	252.136159
ΔH_f, kcal/mol:	-138.94
Dipole, Da:	4.01
IP(EA), eV:	-9.36(1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E,5S,6E,8R,9E,14S)-5,8-dihydroxy-14-methyl-1-oxacyclotetradeca-3,6,9-trien-2-one

Drug info:

PubChemData

Smile

C1CN[C@H]2[C@@H]([C@H]([C@H](CN2C1)O)O)O

DOS

IR

Vibrations