Geometry & MOs

Info

ID:	77843
PubChem CID:	49661740
Reduced:	SN4O5C18H18 (1)
Stoich.:	AB4C5D18E18 (1)
Weight, g/mol:	422.00482
ΔH_f, kcal/mol:	-141.46
Dipole, Da:	5.12
IP(EA), eV:	-9.19(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations