Geometry & MOs

Info

ID:	213504
PubChem CID:	81063928
Reduced:	SN2O5C13H24 (1)
Stoich.:	AB2C5D13E24 (1)
Weight, g/mol:	242.072513
ΔH_f, kcal/mol:	-245.72
Dipole, Da:	6.0
IP(EA), eV:	-9.69(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]butanoic acid

Drug info:

PubChemData

Smile

CCCS(=O)(=O)N1CCCC1C(=O)NCC(C)CC(=O)O

DOS

IR

Vibrations