Geometry & MOs

Info

ID:

186416

PubChem CID:

77428899

Reduced:

ClFO2N4C21H22 (1)

Stoich.:

ABC2D4E21F22 (1)

Weight, g/mol:

713.486668

ΔHf, kcal/mol:

-92.38

Dipole, Da:

2.02

IP(EA), eV:

 -8.55(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[8-(1,2-dihydroxy-2-methylpropyl)-4,6,12,17,17-pentamethyl-18-[4-(oxetan-3-yl)morpholin-2-yl]oxy-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-11-yl] 2-cyclopropylacetate

Drug info:

PubChemData

Smile

CC1CN(CCN1C2=CC(=C(C=C2)Cl)F)C(=O)CNC3=CC4=C(C=C3)NC(=O)C4

DOS

IR

Vibrations