Geometry & MOs

Info

ID:	213753
PubChem CID:	81064872
Reduced:	N2O5C13H18 (1)
Stoich.:	A2B5C13D18 (1)
Weight, g/mol:	312.114378
ΔH_f, kcal/mol:	-198.84
Dipole, Da:	6.05
IP(EA), eV:	-9.92(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[4-(thiophene-2-carbonylamino)butanoylamino]butanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)CCNC(=O)C1=CC=CO1

DOS

IR

Vibrations