Geometry & MOs

Info

ID:

442937

PubChem CID:

135256999

Reduced:

N3O14C33H35 (1)

Stoich.:

A3B14C33D35 (1)

Weight, g/mol:

579.96089

ΔHf, kcal/mol:

-469.62

Dipole, Da:

7.75

IP(EA), eV:

 -8.7(-1.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

15,17-dibromo-5,7-diphenyl-3,10-diazapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2,4,6,8,12,14,16,18-nonaen-11-one

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=N/C(=C\3/C=CC=CC3=O)/N(N2)C4=CC=C(C=C4)C(=O)O[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)O)O[C@H]6[C@@H]([C@H]([C@H]([C@H](O6)CO)O)O)O

DOS

IR

Vibrations