Geometry & MOs

Info

ID:	169118
PubChem CID:	75067069
Reduced:	N3O3H13C14 (1)
Stoich.:	A3B3C13D14 (1)
Weight, g/mol:	476.277404
ΔH_f, kcal/mol:	-10.14
Dipole, Da:	1.49
IP(EA), eV:	-8.7(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-hydroxy-3-[1-hydroxy-3-(4-methyl-3,6-dihydro-2H-pyran-2-yl)prop-2-enyl]-13-methyl-15-methylidene-4,11,19-trioxabicyclo[16.1.0]nonadec-6-en-5-one

Drug info:

PubChemData

Smile

CN(C(=O)C1=CC2=C(C=C1)OCO2)N=CN3C=CC=C3

DOS

IR

Vibrations