Geometry & MOs

Info

ID:	270177
PubChem CID:	103631999
Reduced:	FNSBr2O2H10C14 (1)
Stoich.:	ABCD2E2F10G14 (1)
Weight, g/mol:	228.12224
ΔH_f, kcal/mol:	-68.53
Dipole, Da:	5.09
IP(EA), eV:	-8.78(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(2-hydroxy-4-methylpentyl)amino]-2H-1,2,4-triazine-3,5-dione

Drug info:

PubChemData

Smile

C1CN(C2=C1C=CC(=C2)F)S(=O)(=O)C3=C(C=C(C=C3)Br)Br

DOS

IR

Vibrations