Geometry & MOs

Info

ID:	213754
PubChem CID:	81064874
Reduced:	SN2O4C14H20 (1)
Stoich.:	AB2C4D14E20 (1)
Weight, g/mol:	275.115758
ΔH_f, kcal/mol:	-169.08
Dipole, Da:	4.58
IP(EA), eV:	-9.45(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[(3-methyl-1-benzofuran-2-carbonyl)amino]butanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)CCCNC(=O)C1=CC=CS1

DOS

IR

Vibrations