Geometry & MOs

Info

ID:

421984

PubChem CID:

135116966

Reduced:

NSO5C17H23 (1)

Stoich.:

ABC5D17E23 (1)

Weight, g/mol:

571.290703

ΔHf, kcal/mol:

-193.59

Dipole, Da:

6.5

IP(EA), eV:

 -9.59(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(11R)-20-methoxy-11-propan-2-yl-15-[(3-pyrazol-1-ylphenyl)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

CO[C@@H]1CCC[C@@]12CCCN(C2)S(=O)(=O)C3=CC=CC(=C3)C(=O)O

DOS

IR

Vibrations