Geometry & MOs

Info

ID:	299019
PubChem CID:	117667646
Reduced:	SN3O4F7C33H34 (1)
Stoich.:	AB3C4D7E33F34 (1)
Weight, g/mol:	369.168856
ΔH_f, kcal/mol:	-463.48
Dipole, Da:	2.47
IP(EA), eV:	-9.31(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 6-(4-methoxycarbonylpyridin-3-yl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxylate

Drug info:

PubChemData

Smile

CCC[C@@H]1[C@@](CCCN1C(=O)C2=C(C=CC=N2)C(F)(F)F)(C(=O)N3CCC4=C(C3CCCO)C=CC(=C4)F)OC5=CSC(=C5)C(F)(F)F

DOS

IR

Vibrations