Geometry & MOs

Info

ID:	425284
PubChem CID:	135125806
Reduced:	SF2O4N5C23H23 (1)
Stoich.:	AB2C4D5E23F23 (1)
Weight, g/mol:	428.0648
ΔH_f, kcal/mol:	-128.12
Dipole, Da:	5.34
IP(EA), eV:	-9.04(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-bromo-3-fluoropyridin-2-yl)azetidin-3-yl]-2,4-dimethylquinoline-6-carboxamide

Drug info:

PubChemData

Smile

CC1(C(=NC(CS1(=O)=O)(C)C2=C(C=CC(=C2)C=C(C3=CN=C(C=N3)OCC4=NC=CO4)F)F)N)C

DOS

IR

Vibrations