Geometry & MOs

Info

ID:	161952
PubChem CID:	57393159
Reduced:	SN4O5H16C21 (1)
Stoich.:	AB4C5D16E21 (1)
Weight, g/mol:	432.02556
ΔH_f, kcal/mol:	-88.62
Dipole, Da:	5.05
IP(EA), eV:	-8.69(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-bromo-3-(1-butylindol-3-yl)-4H-pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide

Drug info:

PubChemData

Smile

C1C=C(C=CO1)NN2C3=CC=CC=C3C(=O)/C(=C\4/NC5=CC=CC=C5S(=O)(=O)N4)/C2=O

DOS

IR

Vibrations