Geometry & MOs

Info

ID:	308874
PubChem CID:	126531719
Reduced:	ClFO3N5H27C28 (1)
Stoich.:	ABC3D5E27F28 (1)
Weight, g/mol:	535.178646
ΔH_f, kcal/mol:	-80.64
Dipole, Da:	1.98
IP(EA), eV:	-8.9(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-[1-[[3-chloro-6-[2-(2-hydroxypropan-2-yl)pyrimidin-5-yl]quinolin-4-yl]amino]ethyl]-4-fluorophenyl]morpholin-3-one

Drug info:

PubChemData

Smile

C[C@H](C1=C(C=CC(=C1)N2CCOCC2=O)F)NC3=C4C=C(C=CC4=NC=C3Cl)C5=CN=C(N=C5)C(C)(C)O

DOS

IR

Vibrations