Geometry & MOs

Info

ID:	199554
PubChem CID:	79266689
Reduced:	NSBr2O3C11H13 (1)
Stoich.:	ABC2D3E11F13 (1)
Weight, g/mol:	250.131742
ΔH_f, kcal/mol:	-102.28
Dipole, Da:	3.46
IP(EA), eV:	-9.74(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[tert-butyl-(6-methylpyridine-2-carbonyl)amino]acetic acid

Drug info:

PubChemData

Smile

CC(C)(C)N(CC(=O)O)C(=O)C1=CC(=C(S1)Br)Br

DOS

IR

Vibrations