Geometry & MOs

Info

ID:	176792
PubChem CID:	76100995
Reduced:	NSC6O6H11 (1)
Stoich.:	ABC6D6E11 (1)
Weight, g/mol:	314.147786
ΔH_f, kcal/mol:	-206.53
Dipole, Da:	1.45
IP(EA), eV:	-9.55(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,5-dihydroxy-1H-pyrrol-3-yl) 3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate

Drug info:

PubChemData

Smile

C(C1C(C(C(C(O1)SN=O)O)O)O)O

DOS

IR

Vibrations