Geometry & MOs

Info

ID:	308861
PubChem CID:	126531659
Reduced:	BrClFO2N3H12C17 (1)
Stoich.:	ABCD2E3F12G17 (1)
Weight, g/mol:	437.141866
ΔH_f, kcal/mol:	-52.66
Dipole, Da:	4.61
IP(EA), eV:	-9.19(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[7-chloro-3-fluoro-8-[[(1R)-1-phenylethyl]amino]-1,5-naphthyridin-2-yl]pyrimidin-2-yl]propan-2-ol

Drug info:

PubChemData

Smile

CC(C1=C(C=CC(=N1)C(=O)O)F)NC2=C3C=C(C=CC3=NC=C2Cl)Br

DOS

IR

Vibrations