Geometry & MOs

Info

ID:

415565

PubChem CID:

135088561

Reduced:

N3O3C20H25 (1)

Stoich.:

A3B3C20D25 (1)

Weight, g/mol:

730.349026

ΔHf, kcal/mol:

-96.45

Dipole, Da:

6.33

IP(EA), eV:

 -8.79(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,4R,7R,13S,19R,23S)-13-benzyl-17-(6-fluoro-2-methylquinoline-4-carbonyl)-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@]1(CCOC2([C@H]1O)CCNCC2)NC(=O)C3=CC4=CC=CC=C4C=N3

DOS

IR

Vibrations