Geometry & MOs

Info

ID:

227748

PubChem CID:

87562376

Reduced:

S2N4O5C23H26 (1)

Stoich.:

A2B4C5D23E26 (1)

Weight, g/mol:

443.19574

ΔHf, kcal/mol:

-149.74

Dipole, Da:

6.67

IP(EA), eV:

 -9.26(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-N-hydroxy-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NC1=NC2=C(S1)C=C(C=C2)C3=CC(=CN=C3)S(=O)(=O)N[C@H]4CCC[C@H]5[C@@H]4OC(O5)(C)C

DOS

IR

Vibrations