Geometry & MOs

Info

ID:	19109
PubChem CID:	554963
Reduced:	BrSO2N3H8C11 (1)
Stoich.:	ABC2D3E8F11 (1)
Weight, g/mol:	324.95206
ΔH_f, kcal/mol:	17.57
Dipole, Da:	3.5
IP(EA), eV:	-8.92(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[(7-bromo-4-oxochromen-3-yl)methylideneamino]carbamimidothioic acid

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1Br)OC=C(C2=O)C=NN=C(N)S

DOS

IR

Vibrations