Geometry & MOs

Info

ID:	162140
PubChem CID:	57393749
Reduced:	FOSN4H17C21 (1)
Stoich.:	ABCD4E17F21 (1)
Weight, g/mol:	436.141656
ΔH_f, kcal/mol:	28.1
Dipole, Da:	7.72
IP(EA), eV:	-8.45(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[[5-(1,1-dioxothiazinan-2-yl)-8-hydroxy-1,6-naphthyridine-7-carbonyl]amino]acetate

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC=CC=C2F)C)/C=C\3/C(=O)N=C(S3)NC4=CC=CC=N4

DOS

IR

Vibrations