Geometry & MOs

Info

ID:	294289
PubChem CID:	117450334
Reduced:	N2O3C15H24 (1)
Stoich.:	A2B3C15D24 (1)
Weight, g/mol:	280.113316
ΔH_f, kcal/mol:	-140.8
Dipole, Da:	3.81
IP(EA), eV:	-8.39(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopropyl-3-(5-methoxy-4-methyl-2-methylsulfanylphenyl)propanoic acid

Drug info:

PubChemData

Smile

CC(CN)C1=CC(=C(C=C1)OC)NC(=O)OC(C)(C)C

DOS

IR

Vibrations