Geometry & MOs

Info

ID:

422837

PubChem CID:

135118493

Reduced:

NO6C29H31 (1)

Stoich.:

AB6C29D31 (1)

Weight, g/mol:

503.253255

ΔHf, kcal/mol:

-208.92

Dipole, Da:

8.91

IP(EA), eV:

 -8.66(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,29S)-9-methoxy-11,19-dioxa-3,14,15,16,27-pentazahexacyclo[25.4.1.113,16.120,24.03,29.05,10]tetratriaconta-5(10),6,8,13(34),14,20,22,24(33)-octaen-26-one

Drug info:

PubChemData

Smile

CC1=C(C(C2=C(N1)CC(CC2=O)C3=CC=CC=C3OC)C4=CC(=CC=C4)O)C(=O)OCC5CCCO5

DOS

IR

Vibrations