Geometry & MOs

Info

ID:	213464
PubChem CID:	81063827
Reduced:	NO5C15H19 (1)
Stoich.:	AB5C15D19 (1)
Weight, g/mol:	309.139865
ΔH_f, kcal/mol:	-195.16
Dipole, Da:	2.41
IP(EA), eV:	-9.02(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)C1COC2=CC=CC=C2O1

DOS

IR

Vibrations