Geometry & MOs

Info

ID:	27506
PubChem CID:	821689
Reduced:	BrSO2H7C11 (1)
Stoich.:	ABC2D7E11 (1)
Weight, g/mol:	250.052447
ΔH_f, kcal/mol:	-25.77
Dipole, Da:	5.8
IP(EA), eV:	-9.17(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-6-[(4-hydroxyphenyl)methyl]-3-sulfanylidene-2H-1,2,4-triazin-5-one

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1Br)C(=CS2)C=CC(=O)O

DOS

IR

Vibrations