Geometry & MOs

Info

ID:

187550

PubChem CID:

77590172

Reduced:

BrClNO3C21H23 (1)

Stoich.:

ABCD3E21F23 (1)

Weight, g/mol:

610.270417

ΔHf, kcal/mol:

-93.58

Dipole, Da:

2.93

IP(EA), eV:

 -8.81(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(butan-2-ylamino)-N-[1-hydroxy-1-(3-oxo-4-propylpiperazin-2-yl)-3-phenylpropan-2-yl]-6-[methyl(methylsulfonyl)amino]pyridine-4-carboxamide;hydrochloride

Drug info:

PubChemData

Smile

C1CN(CCC12CC3=C(O2)C=CC(=C3)Cl)CC(COC4=CC=CC=C4Br)O

DOS

IR

Vibrations