Geometry & MOs

Info

ID:	203254
PubChem CID:	79800416
Reduced:	NO5C12H13 (1)
Stoich.:	AB5C12D13 (1)
Weight, g/mol:	296.119464
ΔH_f, kcal/mol:	-162.0
Dipole, Da:	7.29
IP(EA), eV:	-9.54(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-(4,5,6,7-tetrahydro-1-benzothiophen-4-ylcarbamoylamino)butanoic acid

Drug info:

PubChemData

Smile

CC(C(=O)OC)OC1=CN=C(C=C1)C=CC(=O)O

DOS

IR

Vibrations