Geometry & MOs

Info

ID:

421973

PubChem CID:

135116944

Reduced:

O3N8C30H36 (1)

Stoich.:

A3B8C30D36 (1)

Weight, g/mol:

633.352634

ΔHf, kcal/mol:

6.48

Dipole, Da:

7.02

IP(EA), eV:

 -9.0(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,4R,7R,13S,19R,23S)-13,17-dibenzyl-23-hydroxy-4-(2-methylpropyl)-20-oxa-2,5,11,14,17-pentazatricyclo[17.3.1.07,11]tricosane-3,6,12,15-tetrone

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)NCCCN(CC2=CN(CCCOC3=C(C=CC(=C3)C)C(=O)N1)N=N2)CC4=CC(=CC=C4)N5C=CC=N5

DOS

IR

Vibrations