Geometry & MOs

Info

ID:

219138

PubChem CID:

85090811

Reduced:

PN2F3O6C29H32 (1)

Stoich.:

AB2C3D6E29F32 (1)

Weight, g/mol:

594.330502

ΔHf, kcal/mol:

-381.67

Dipole, Da:

8.61

IP(EA), eV:

 -9.48(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(15,22-dihydroxy-5-methoxy-14,16-dimethyl-3-oxo-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20(24),21-heptaen-13-yl) 2-(2-methylbut-2-enoylamino)propanoate

Drug info:

PubChemData

Smile

C1C[N+](CCN1C(C2=CC=CC=C2)C3=CC=CC=C3)(CC=CC4=CC=CC=C4)COP(=O)(O)[O-].C(=O)(C(F)(F)F)O

DOS

IR

Vibrations