Geometry & MOs

Info

ID:

49523

PubChem CID:

11533173

Reduced:

O3C32H52 (1)

Stoich.:

A3B32C52 (1)

Weight, g/mol:

484.10672

ΔHf, kcal/mol:

-213.02

Dipole, Da:

2.59

IP(EA), eV:

 -9.75(0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-chloro-3-[(3,5-dimethylphenyl)-methoxyphosphoryl]-N-[(1-oxidopyrazin-1-ium-2-yl)methyl]-1H-indole-2-carboxamide

Drug info:

PubChemData

Smile

CC(C=O)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)C)C)C

DOS

IR

Vibrations