Geometry & MOs

Info

ID:

421683

PubChem CID:

135116422

Reduced:

FNSO5C16H22 (1)

Stoich.:

ABCD5E16F22 (1)

Weight, g/mol:

509.275053

ΔHf, kcal/mol:

-249.76

Dipole, Da:

6.84

IP(EA), eV:

 -10.07(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(11R)-20-methoxy-15-[(1-methylimidazol-2-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

CO[C@@H]1C[C@@H](CC[C@@H]1O)C(=O)NCCS(=O)(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations