Geometry & MOs

Info

ID:

316201

PubChem CID:

126630354

Reduced:

N5O5C31H43 (1)

Stoich.:

A5B5C31D43 (1)

Weight, g/mol:

563.310769

ΔHf, kcal/mol:

-197.57

Dipole, Da:

4.25

IP(EA), eV:

 -8.83(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,5S,18E)-2,5,11,17,17-pentamethyl-14-propan-2-yl-3-oxa-9,12,15,26,29-pentazatetracyclo[18.5.3.15,9.023,27]nonacosa-1(26),18,20(28),21,23(27),24-hexaene-4,10,13,16-tetrone

Drug info:

PubChemData

Smile

CCC1=NC2=C(C=C1)C(=CC(=C2)/C=C/C(C)(C)C(=O)NC(C(C)C)C(=O)NC(C)C(=O)N3CCCC(N3)C(=O)O)C

DOS

IR

Vibrations