Geometry & MOs

Info

ID:	230250
PubChem CID:	87570519
Reduced:	ClS2N3O6C22H26 (1)
Stoich.:	AB2C3D6E22F26 (1)
Weight, g/mol:	350.081758
ΔH_f, kcal/mol:	-180.13
Dipole, Da:	8.13
IP(EA), eV:	-9.32(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-2-methylpropane-1-sulfonic acid;2-amino-3-methyl-3-sulfobutanoic acid

Drug info:

PubChemData

Smile

CN1CCC(CC1)OC(C2=CC=C(C=C2)S(=O)(=O)C3CC3)C(=O)NC4=NC(=C(S4)Cl)CC(=O)O

DOS

IR

Vibrations