Geometry & MOs

Info

ID:	80546
PubChem CID:	49835066
Reduced:	ON8C23H26 (1)
Stoich.:	AB8C23D26 (1)
Weight, g/mol:	1020.353309
ΔH_f, kcal/mol:	95.08
Dipole, Da:	3.1
IP(EA), eV:	-8.73(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide;ethanol

Drug info:

PubChemData

Smile

CC1CCN(CC1)C2=NC(=NC(=N2)NC3=NNC(=C3)C4=CC=CO4)NCC5=CC=CC=C5

DOS

IR

Vibrations