Geometry & MOs

Info

ID:	159604
PubChem CID:	57288521
Reduced:	F2S2N3O4H15C18 (1)
Stoich.:	A2B2C3D4E15F18 (1)
Weight, g/mol:	246.121572
ΔH_f, kcal/mol:	-162.19
Dipole, Da:	8.32
IP(EA), eV:	-8.64(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-4-[(2S)-2-amino-4-methylpentanoyl]oxy-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CS(=O)(=O)ONC(=NC(=O)C1=CC=CC(=C1)C2=C(SC3=CC=CC=C32)C(F)F)N

DOS

IR

Vibrations