Geometry & MOs

Info

ID:	299022
PubChem CID:	117667822
Reduced:	SN3O5F7H32C33 (1)
Stoich.:	AB3C5D7E32F33 (1)
Weight, g/mol:	355.14331
ΔH_f, kcal/mol:	-506.55
Dipole, Da:	4.79
IP(EA), eV:	-9.19(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[5-(3-cyanophenyl)pyridin-3-yl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

Drug info:

PubChemData

Smile

CCC[C@@H]1[C@@](CCCN1C(=O)C2=C(C=CC=N2)C(F)(F)F)(C(=O)N3CC4=C(C[C@@H]3CCC(=O)O)C=C(C=C4)F)OC5=CSC(=C5)C(F)(F)F

DOS

IR

Vibrations