Geometry & MOs

Info

ID:	296531
PubChem CID:	117581913
Reduced:	NSO4C11H23 (1)
Stoich.:	ABC4D11E23 (1)
Weight, g/mol:	265.134779
ΔH_f, kcal/mol:	-205.77
Dipole, Da:	10.02
IP(EA), eV:	-9.53(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,2-dimethylbutylamino)methyl]-3-methylsulfonylpropanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)CN(C)CC(CS(=O)(=O)C)C(=O)O

DOS

IR

Vibrations