Geometry & MOs

Info

ID:

316821

PubChem CID:

126631815

Reduced:

N5O5C32H45 (1)

Stoich.:

A5B5C32D45 (1)

Weight, g/mol:

582.316583

ΔHf, kcal/mol:

-205.21

Dipole, Da:

6.96

IP(EA), eV:

 -8.85(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,11S,14S,18E)-13-hydroxy-2,11,17,17,25-pentamethyl-14-propan-2-yl-3-oxa-9,12,15,25,26,29-hexazatetracyclo[18.5.3.15,9.023,27]nonacosa-1(26),18,20(28),21,23(27)-pentaene-4,10,16,24-tetrone

Drug info:

PubChemData

Smile

CC1=CC(=CC2=C1C=CC(=N2)[C@@H](C)OC(=O)C3CCCN(N3)C(=O)C(C)C)/C=C/C(C)(C)C(=O)N[C@@H](C(C)C)C(=O)N

DOS

IR

Vibrations