Geometry & MOs

Info

ID:	213409
PubChem CID:	81063621
Reduced:	SN2O6C12H22 (1)
Stoich.:	AB2C6D12E22 (1)
Weight, g/mol:	261.136493
ΔH_f, kcal/mol:	-275.22
Dipole, Da:	2.14
IP(EA), eV:	-9.52(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,3-dihydro-1H-indene-5-carbonylamino)-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)CCS(=O)(=O)N1CCOCC1

DOS

IR

Vibrations