Geometry & MOs

Info

ID:	222723
PubChem CID:	85332152
Reduced:	P3N5C10O12H16 (1)
Stoich.:	A3B5C10D12E16 (1)
Weight, g/mol:	491.268316
ΔH_f, kcal/mol:	-658.52
Dipole, Da:	2.56
IP(EA), eV:	-8.46(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

14-ethyl-7-(1-fluoro-2-pyridin-2-ylethenyl)-11,15-dihydroxy-4,12,12,16-tetramethyl-1,8-dioxacyclohexadec-4-ene-9,13-dione

Drug info:

PubChemData

Smile

C1C(OC(O1)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)N2C=C(C3=C(N=CN=C32)N)N

DOS

IR

Vibrations