Geometry & MOs

Info

ID:	213875
PubChem CID:	81065506
Reduced:	NSO3C16H23 (1)
Stoich.:	ABC3D16E23 (1)
Weight, g/mol:	286.189257
ΔH_f, kcal/mol:	-135.82
Dipole, Da:	2.53
IP(EA), eV:	-8.56(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3-(2,2-dimethylpropanoylamino)propanoylamino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)CCCSC1=CC=CC=C1

DOS

IR

Vibrations