Geometry & MOs

Info

ID:	213386
PubChem CID:	81063589
Reduced:	ClNS2O3C12H16 (1)
Stoich.:	ABC2D3E12F16 (1)
Weight, g/mol:	261.100108
ΔH_f, kcal/mol:	-122.93
Dipole, Da:	4.31
IP(EA), eV:	-9.12(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-benzofuran-2-carbonylamino)-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)CSCC1=CC=C(S1)Cl

DOS

IR

Vibrations