Geometry & MOs

Info

ID:	200509
PubChem CID:	79402177
Reduced:	SO3N4C11H16 (1)
Stoich.:	AB3C4D11E16 (1)
Weight, g/mol:	257.083413
ΔH_f, kcal/mol:	-90.64
Dipole, Da:	6.63
IP(EA), eV:	-9.45(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[(2R)-2-amino-3-methylbutanoyl]amino]-3-methyl-1,2-thiazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NSC(=C1C(=O)O)NC(=O)CN2CCNCC2

DOS

IR

Vibrations