Geometry & MOs

Info

ID:	232235
PubChem CID:	87575781
Reduced:	SO3C30H52 (1)
Stoich.:	AB3C30D52 (1)
Weight, g/mol:	292.145678
ΔH_f, kcal/mol:	-221.95
Dipole, Da:	2.0
IP(EA), eV:	-8.6(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-5-methyl-4-[(2-methylprop-2-enoylamino)methyl]hexane-1-sulfonic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCC(C(=O)OCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)S

DOS

IR

Vibrations