Geometry & MOs

Info

ID:

418099

PubChem CID:

135103581

Reduced:

N5O5C31H41 (1)

Stoich.:

A5B5C31D41 (1)

Weight, g/mol:

564.317252

ΔHf, kcal/mol:

-200.87

Dipole, Da:

8.47

IP(EA), eV:

 -9.46(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(14R)-8,14-dimethyl-20-[3-(1,3,5-trimethylpyrazol-4-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

CC[C@H]1CN(CC(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=CC=C2)CC(C)C)C)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations