Geometry & MOs

Info

ID:

422573

PubChem CID:

135118062

Reduced:

ClNO4C17H24 (1)

Stoich.:

ABC4D17E24 (1)

Weight, g/mol:

562.253983

ΔHf, kcal/mol:

-176.11

Dipole, Da:

3.44

IP(EA), eV:

 -8.91(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(14R)-20-[2-(1,3-benzodioxol-5-yl)acetyl]-8,14-dimethyl-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

CCC[C@@]1(CCN(C[C@@H]1O)CCOC2=CC=C(C=C2)Cl)C(=O)O

DOS

IR

Vibrations