Geometry & MOs

Info

ID:

422553

PubChem CID:

135118026

Reduced:

ClON4C16H21 (1)

Stoich.:

ABC4D16E21 (1)

Weight, g/mol:

553.247124

ΔHf, kcal/mol:

-5.63

Dipole, Da:

4.33

IP(EA), eV:

 -8.72(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(14R)-8,14-dimethyl-20-[3-(4-methyl-1,3-thiazol-5-yl)propanoyl]-5-oxa-1,13,16,20,23,24-hexazatricyclo[20.2.1.06,11]pentacosa-6(11),7,9,22(25),23-pentaene-12,15-dione

Drug info:

PubChemData

Smile

CC1=C(N=CN1)CN(CCN(C)C)C(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations