Geometry & MOs

Info

ID:	213171
PubChem CID:	81063115
Reduced:	N3O5C10H13 (1)
Stoich.:	A3B5C10D13 (1)
Weight, g/mol:	295.124215
ΔH_f, kcal/mol:	-222.51
Dipole, Da:	5.5
IP(EA), eV:	-10.08(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C1=CNC(=O)NC1=O

DOS

IR

Vibrations