Geometry & MOs

Info

ID:

49605

PubChem CID:

11533348

Reduced:

O6C29H52 (1)

Stoich.:

A6B29C52 (1)

Weight, g/mol:

495.067195

ΔHf, kcal/mol:

-321.21

Dipole, Da:

2.47

IP(EA), eV:

 -9.34(1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

12-chloro-3-(2,4-dichlorophenyl)-N-(4-methylphenyl)-3,4-diazatricyclo[8.4.0.02,6]tetradeca-1(10),2(6),4,11,13-pentaene-5-carboxamide

Drug info:

PubChemData

Smile

C/C=C(\C)/C[C@H](C)[C@@H]([C@@H](C)[C@@H]1[C@@H]([C@@H](C[C@@]2(O1)[C@H](C[C@@H]([C@H](O2)[C@@H](C)[C@H]([C@@H](C)C=C)O)C)O)OC)C)O

DOS

IR

Vibrations