Geometry & MOs

Info

ID:	163919
PubChem CID:	74380809
Reduced:	OSN6C17H24 (1)
Stoich.:	ABC6D17E24 (1)
Weight, g/mol:	428.081824
ΔH_f, kcal/mol:	81.01
Dipole, Da:	4.01
IP(EA), eV:	-8.51(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-chloro-6-[[2-[(4-fluorophenyl)methyl-methylamino]-2-oxoethyl]amino]pyridin-3-yl]-N-hydroxyprop-2-enamide;hydrochloride

Drug info:

PubChemData

Smile

CCCCCN=C(N)NNC=C1C=NC2=C1C=C(C=C2)OC.C(#N)S

DOS

IR

Vibrations