Geometry & MOs

Info

ID:	49509
PubChem CID:	11533148
Reduced:	Cl2N2O2S3H16C20 (1)
Stoich.:	A2B2C2D3E16F20 (1)
Weight, g/mol:	483.20591
ΔH_f, kcal/mol:	-16.77
Dipole, Da:	5.65
IP(EA), eV:	-9.28(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CSC1=NC(=C(C(=N1)SCC2=CC=C(C=C2)Cl)C(=O)O)SCC3=CC=C(C=C3)Cl

DOS

IR

Vibrations