Geometry & MOs

Info

ID:	228167
PubChem CID:	87563571
Reduced:	OCl2N2C15H16 (1)
Stoich.:	AB2C2D15E16 (1)
Weight, g/mol:	712.19179
ΔH_f, kcal/mol:	-6.27
Dipole, Da:	4.35
IP(EA), eV:	-9.16(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6-chloropyrazin-2-yl)amino]-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide;2-(pyrazin-2-ylamino)-N-(2,4,6-trimethylphenyl)-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CN(CC1=C(N=C(C=C1)Cl)Cl)C2=CC=CC=C2CCO

DOS

IR

Vibrations