Geometry & MOs

Info

ID:

421569

PubChem CID:

135116241

Reduced:

FSN2O5C15H21 (1)

Stoich.:

ABC2D5E15F21 (1)

Weight, g/mol:

597.306353

ΔHf, kcal/mol:

-229.16

Dipole, Da:

3.51

IP(EA), eV:

 -9.48(-0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(11R)-20-methoxy-15-[[2-(2-methylphenyl)pyrimidin-5-yl]methyl]-11-propan-2-yl-18-oxa-3,6,9,12,15-pentazatricyclo[17.3.1.02,6]tricosa-1(23),2,4,19,21-pentaene-10,13-dione

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)COC2=CC(=CC=C2)F

DOS

IR

Vibrations