Geometry & MOs

Info

ID:	213684
PubChem CID:	81064647
Reduced:	NO3C16H31 (1)
Stoich.:	AB3C16D31 (1)
Weight, g/mol:	265.098394
ΔH_f, kcal/mol:	-198.65
Dipole, Da:	2.9
IP(EA), eV:	-9.91(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-methylsulfonylpropanoylamino)methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCC(=O)NCC(CC)CC(=O)O

DOS

IR

Vibrations