Geometry & MOs

Info

ID:	447888
PubChem CID:	135286588
Reduced:	OSN3C11H13 (1)
Stoich.:	ABC3D11E13 (1)
Weight, g/mol:	519.129587
ΔH_f, kcal/mol:	20.83
Dipole, Da:	5.96
IP(EA), eV:	-9.0(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[3-chloro-4-[1-[2-fluoro-5-(1,3-thiazol-5-yl)phenyl]ethylamino]quinolin-6-yl]pyrimidin-2-yl]propan-2-ol

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C)C(=O)/C(=C/N(C)C)/C#N

DOS

IR

Vibrations