Geometry & MOs

Info

ID:	151393
PubChem CID:	53801187
Reduced:	ON2Br3H7C9 (1)
Stoich.:	AB2C3D7E9 (1)
Weight, g/mol:	266.145285
ΔH_f, kcal/mol:	23.2
Dipole, Da:	5.06
IP(EA), eV:	-9.77(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-amino-2-methylpropan-2-yl)-5-butylpyridine-2-carbothioic S-acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)NN=CC(Br)(Br)Br

DOS

IR

Vibrations