Geometry & MOs

Info

ID:	290409
PubChem CID:	104470353
Reduced:	FNS2C15H18 (1)
Stoich.:	ABC2D15E18 (1)
Weight, g/mol:	279.147058
ΔH_f, kcal/mol:	-17.69
Dipole, Da:	4.58
IP(EA), eV:	-8.49(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-2-methylbutanoic acid

Drug info:

PubChemData

Smile

CCC(C)C1=CSC(=N1)C2=C(C=CC=C2SCC)F

DOS

IR

Vibrations