Geometry & MOs

Info

ID:	230945
PubChem CID:	87572304
Reduced:	OF6N7H17C18 (1)
Stoich.:	AB6C7D17E18 (1)
Weight, g/mol:	590.527411
ΔH_f, kcal/mol:	-250.65
Dipole, Da:	7.39
IP(EA), eV:	-8.95(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(9E,28E)-19-hydroxy-19-(hydroxymethyl)heptatriaconta-9,28-diene-18,20-dione

Drug info:

PubChemData

Smile

C1[C@H]2C=C[C@@H]1[C@H]([C@H]2C(=O)N)NC3=NC(=NC=C3C(F)(F)F)NC4=CN(N=C4)CC(F)(F)F

DOS

IR

Vibrations