Geometry & MOs

Info

ID:	49640
PubChem CID:	11533431
Reduced:	O2F3N3C28H34 (1)
Stoich.:	A2B3C3D28E34 (1)
Weight, g/mol:	501.162332
ΔH_f, kcal/mol:	-179.87
Dipole, Da:	3.14
IP(EA), eV:	-9.06(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenyl-2-[4-[[[4-(thiadiazol-4-yl)phenyl]methylamino]methyl]phenyl]-6H-1,6-naphthyridin-5-one

Drug info:

PubChemData

Smile

CCCN1CCC(CC1CF)N(C)C(=O)N2CC(=C[C@@]2(CO)C3=CC=CC=C3)C4=C(C=CC(=C4)F)F

DOS

IR

Vibrations