Geometry & MOs

Info

ID:	208582
PubChem CID:	80549166
Reduced:	NO3C9H17 (1)
Stoich.:	AB3C9D17 (1)
Weight, g/mol:	366.98778
ΔH_f, kcal/mol:	-129.03
Dipole, Da:	4.08
IP(EA), eV:	-9.37(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(3-bromothiophene-2-carbonyl)amino]phenyl]-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)/C=C/CN(C)CCO

DOS

IR

Vibrations