Geometry & MOs

Info

ID:

335660

PubChem CID:

127254522

Reduced:

O3N4C27H32 (1)

Stoich.:

A3B4C27D32 (1)

Weight, g/mol:

557.135363

ΔHf, kcal/mol:

-50.17

Dipole, Da:

12.63

IP(EA), eV:

 -6.94(-1.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(11S,12R,16S)-14-(1,3-benzodioxol-5-ylmethyl)-N-(5-chloro-2-methoxyphenyl)-13,15-dioxo-10,14-diazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide

Drug info:

PubChemData

Smile

CC(C)CN1C2=CC=CC=C2N=C1CCCN3C(=O)C(C4CC3(OC5=CC=CC=C45)C)C(=O)N

DOS

IR

Vibrations