Geometry & MOs

Info

ID:

316177

PubChem CID:

126630316

Reduced:

N5O6C30H41 (1)

Stoich.:

A5B6C30D41 (1)

Weight, g/mol:

579.305684

ΔHf, kcal/mol:

-222.99

Dipole, Da:

2.87

IP(EA), eV:

 -8.95(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,18E)-11-(methoxymethyl)-2,17,17-trimethyl-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

C/C=C/C1=CC2=C(C=C1)C=CC(=N2)[C@@H](C)OC(=O)[C@@H]3CCCN(N3)C(=O)C(COC)NC(=O)[C@H](C(C)C)NC(=O)C

DOS

IR

Vibrations