Geometry & MOs

Info

ID:	258306
PubChem CID:	103152799
Reduced:	N2O2C11H24 (1)
Stoich.:	A2B2C11D24 (1)
Weight, g/mol:	295.087829
ΔH_f, kcal/mol:	-107.92
Dipole, Da:	2.99
IP(EA), eV:	-9.0(2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,3-dihydro-1-benzothiophene-2-carbonylamino)-3-methoxybutanoic acid

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](O1)C)CCC(CN)OC

DOS

IR

Vibrations