Geometry & MOs

Info

ID:	214000
PubChem CID:	81065674
Reduced:	SN2O6C12H16 (1)
Stoich.:	AB2C6D12E16 (1)
Weight, g/mol:	265.134779
ΔH_f, kcal/mol:	-159.88
Dipole, Da:	3.84
IP(EA), eV:	-10.12(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)[N+](=O)[O-])S(=O)(=O)NCC(C)CC(=O)O

DOS

IR

Vibrations