Geometry & MOs

Info

ID:	308880
PubChem CID:	126531734
Reduced:	ClSO3N5C24H30 (1)
Stoich.:	ABC3D5E24F30 (1)
Weight, g/mol:	494.188482
ΔH_f, kcal/mol:	-76.48
Dipole, Da:	6.69
IP(EA), eV:	-8.72(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[3-chloro-4-[[(1R)-1-[2-fluoro-5-(2-hydroxyethyl)phenyl]ethyl]amino]-2-methylquinolin-6-yl]pyrimidin-2-yl]propan-2-ol

Drug info:

PubChemData

Smile

C[C@@H](C1CCCN(C1)S(=O)(=O)C)NC2=C3C=C(C=CC3=NC=C2Cl)C4=CN=C(N=C4)C(C)(C)O

DOS

IR

Vibrations