Geometry & MOs

Info

ID:

187551

PubChem CID:

77590173

Reduced:

ClSO5N6C28H43 (1)

Stoich.:

ABC5D6E28F43 (1)

Weight, g/mol:

574.29374

ΔHf, kcal/mol:

-245.74

Dipole, Da:

6.4

IP(EA), eV:

 -8.62(-0.17)

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

Drug info:

PubChemData

Smile

CCCN1CCNC(C1=O)C(C(CC2=CC=CC=C2)NC(=O)C3=CC(=NC(=C3)N(C)S(=O)(=O)C)NC(C)CC)O.Cl

DOS

IR

Vibrations