Geometry & MOs

Info

ID:	199553
PubChem CID:	79266688
Reduced:	NO4C15H19 (1)
Stoich.:	AB4C15D19 (1)
Weight, g/mol:	398.89624
ΔH_f, kcal/mol:	-158.02
Dipole, Da:	3.78
IP(EA), eV:	-9.05(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[tert-butyl-(4,5-dibromothiophene-2-carbonyl)amino]acetic acid

Drug info:

PubChemData

Smile

CC(C)(C)N(CC(=O)O)C(=O)C1COC2=CC=CC=C12

DOS

IR

Vibrations