Geometry & MOs

Info

ID:	227908
PubChem CID:	87562960
Reduced:	SN5C26H40 (1)
Stoich.:	AB5C26D40 (1)
Weight, g/mol:	386.13789
ΔH_f, kcal/mol:	95.63
Dipole, Da:	5.27
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.094516
Charge, e:	0

Chem-info

IUPAC name:

2-[acetyl(methyl)amino]-N-hydroxy-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)CCN(C)C1=CC2=C(C=C1)NC3=C(S2)C=C(C=[C+]3)N(C)CCN(CC)CC

DOS

IR

Vibrations