Geometry & MOs

Info

ID:

421769

PubChem CID:

135116561

Reduced:

NSO7C18H25 (1)

Stoich.:

ABC7D18E25 (1)

Weight, g/mol:

573.256289

ΔHf, kcal/mol:

-255.5

Dipole, Da:

8.6

IP(EA), eV:

 -9.12(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(11R)-20-methoxy-11-propan-2-yl-15-[[3-(trifluoromethyl)phenyl]methyl]-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

COC1=C(C=C(C=C1)S(=O)(=O)N2CC[C@@H]([C@@](C2)(CC3CC3)C(=O)O)O)OC

DOS

IR

Vibrations