Geometry & MOs

Info

ID:	84076
PubChem CID:	49864007
Reduced:	ClOSN6H19C20 (1)
Stoich.:	ABCD6E19F20 (1)
Weight, g/mol:	468.113523
ΔH_f, kcal/mol:	92.32
Dipole, Da:	9.28
IP(EA), eV:	-9.56(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(5-chloro-2-cyanopyrimidin-4-yl)-2-(2,3-dihydro-1-benzofuran-5-yl)-4-methyl-N'-(2-methylpropyl)-1,3-thiazole-5-carbohydrazide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CC=CC=C2)C(=O)NN(CC(C)C)C3=NC(=NC=C3Cl)C#N

DOS

IR

Vibrations