Geometry & MOs

Info

ID:	77844
PubChem CID:	49661741
Reduced:	BrSO3N4H15C16 (1)
Stoich.:	ABC3D4E15F16 (1)
Weight, g/mol:	366.059818
ΔH_f, kcal/mol:	-57.99
Dipole, Da:	3.54
IP(EA), eV:	-8.91(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,6-difluorophenyl)-2-(4-methyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)CN2C(=O)C3=C(C=N2)SCC(=O)N3C)Br

DOS

IR

Vibrations