Geometry & MOs

Info

ID:

390871

PubChem CID:

135001385

Reduced:

N7O8C50H67 (1)

Stoich.:

A7B8C50D67 (1)

Weight, g/mol:

415.99052

ΔHf, kcal/mol:

-332.64

Dipole, Da:

9.33

IP(EA), eV:

 -8.1(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

sodium;[2-(4-bromophenyl)-1-hydroxy-5-oxo-5-propan-2-yloxypentyl] sulfite

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N1CCC[C@H]1C(=O)NC2=CC=C(C=C2)[C@@H]3CC[C@H](N3C4=CC=C(C=C4)C(C)(C)C)C5=CC=C(C=C5)NC(=O)C6CCCN6C(=O)[C@H](C(C)C)NC(=O)OC)NC(=O)OC

DOS

IR

Vibrations