Geometry & MOs

Info

ID:	159848
PubChem CID:	57288815
Reduced:	O3C8H14 (1)
Stoich.:	A3B8C14 (1)
Weight, g/mol:	469.225994
ΔH_f, kcal/mol:	-143.49
Dipole, Da:	1.05
IP(EA), eV:	-10.39(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-(cyanomethylamino)-3-methyl-5-oxopentyl]-4-[[4-(piperazin-1-ylmethyl)-1,3-thiazol-2-yl]amino]benzamide

Drug info:

PubChemData

Smile

CC(=CC(C)(C)O)C(=O)OC

DOS

IR

Vibrations