Geometry & MOs

Info

ID:	77845
PubChem CID:	49661743
Reduced:	SF2O3N4H12C15 (1)
Stoich.:	AB2C3D4E12F15 (1)
Weight, g/mol:	392.070989
ΔH_f, kcal/mol:	-135.96
Dipole, Da:	4.36
IP(EA), eV:	-9.1(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-methylphenyl)-2-(4-ethyl-3,5-dioxopyridazino[4,5-b][1,4]thiazin-6-yl)acetamide

Drug info:

PubChemData

Smile

CN1C(=O)CSC2=C1C(=O)N(N=C2)CC(=O)NC3=C(C=CC=C3F)F

DOS

IR

Vibrations