Geometry & MOs

Info

ID:	155799
PubChem CID:	56367614
Reduced:	BrO3N4C16H19 (1)
Stoich.:	AB3C4D16E19 (1)
Weight, g/mol:	437.99974
ΔH_f, kcal/mol:	-65.77
Dipole, Da:	4.49
IP(EA), eV:	-8.95(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-acetamido-5-bromophenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide

Drug info:

PubChemData

Smile

CCCC1=NOC(=N1)CCC(=O)NC2=C(C=CC(=C2)Br)NC(=O)C

DOS

IR

Vibrations