Geometry & MOs

Info

ID:

415793

PubChem CID:

135088794

Reduced:

N5O6C29H43 (1)

Stoich.:

A5B6C29D43 (1)

Weight, g/mol:

493.232519

ΔHf, kcal/mol:

-275.44

Dipole, Da:

5.9

IP(EA), eV:

 -9.51(-0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-methoxy-21-methyl-3,24-dioxa-11,16,28,29,30-pentazatetracyclo[26.2.1.04,9.018,23]hentriaconta-1(31),4(9),5,7,18(23),19,21,29-octaene-10,17-dione

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@@H](C(=O)NCCCN(CCCC(=O)N[C@H](C(=O)N1)CC2=CC=CC=C2)C(=O)[C@H]3CCCO3)C(C)C

DOS

IR

Vibrations