Geometry & MOs

Info

ID:	213460
PubChem CID:	81063820
Reduced:	NO3C16H23 (1)
Stoich.:	AB3C16D23 (1)
Weight, g/mol:	293.108565
ΔH_f, kcal/mol:	-151.5
Dipole, Da:	4.2
IP(EA), eV:	-9.2(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2,3-dihydro-1-benzothiophene-2-carbonylamino)methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)CC1=CC(=C(C=C1)C)C

DOS

IR

Vibrations