Geometry & MOs

Info

ID:	201078
PubChem CID:	79486403
Reduced:	FNOSC15H18 (1)
Stoich.:	ABCDE15F18 (1)
Weight, g/mol:	255.1293
ΔH_f, kcal/mol:	-52.88
Dipole, Da:	4.31
IP(EA), eV:	-8.93(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanoic acid

Drug info:

PubChemData

Smile

CC(C1=C(C=CC=C1F)N(C)CCC2=CC=CS2)O

DOS

IR

Vibrations