Geometry & MOs

Info

ID:	180448
PubChem CID:	76634418
Reduced:	BrN2O4C26H27 (1)
Stoich.:	AB2C4D26E27 (1)
Weight, g/mol:	167.015333
ΔH_f, kcal/mol:	-86.66
Dipole, Da:	7.95
IP(EA), eV:	-9.15(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-amino-2,1,3-benzothiadiazol-4-one

Drug info:

PubChemData

Smile

CCOC(=O)C1CCC(NC1=O)C2(C=CC=N2)CC3=C(C=CC(=C3)Br)OCC4=CC=CC=C4

DOS

IR

Vibrations