Geometry & MOs

Info

ID:	308879
PubChem CID:	126531728
Reduced:	ClON4H23C24 (1)
Stoich.:	ABC4D23E24 (1)
Weight, g/mol:	503.175789
ΔH_f, kcal/mol:	40.55
Dipole, Da:	4.19
IP(EA), eV:	-8.88(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[3-chloro-4-[[(1S)-1-(1-methylsulfonylpiperidin-3-yl)ethyl]amino]quinolin-6-yl]pyrimidin-2-yl]propan-2-ol

Drug info:

PubChemData

Smile

CC(C1=NC=NC=C1)NC2=C3C=C(C=CC3=NC=C2Cl)C4=CC=C(C=C4)C(C)(C)O

DOS

IR

Vibrations