Geometry & MOs

Info

ID:

1887

PubChem CID:

5279

Reduced:

O3N4H26C28 (1)

Stoich.:

A3B4C26D28 (1)

Weight, g/mol:

466.200491

ΔHf, kcal/mol:

-32.96

Dipole, Da:

7.62

IP(EA), eV:

 -7.98(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8,10,12,14,19,21,23,25,27-nonaen-16-one

Drug info:

PubChemData

Smile

CC12C(C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)NC)OC

DOS

IR

Vibrations