Geometry & MOs

Info

ID:

415036

PubChem CID:

135088021

Reduced:

N7O8C43H55 (1)

Stoich.:

A7B8C43D55 (1)

Weight, g/mol:

537.269967

ΔHf, kcal/mol:

-230.5

Dipole, Da:

6.55

IP(EA), eV:

 -8.78(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(14R)-20-[2-(3,5-dimethyl-1,2-oxazol-4-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

CC(C)[C@@H]1C(=O)NCCCC2=CC(=C(C=C2)OC)OCC(=O)NCCC[C@@H](C(=O)N[C@H](C(=O)N1)CC3=CC=CC=C3)NC(=O)C4CCN(CC4)C(=O)C5=CC=CC=N5

DOS

IR

Vibrations