Geometry & MOs

Info

ID:	229334
PubChem CID:	87567430
Reduced:	ClNSF2O3H16C17 (1)
Stoich.:	ABCD2E3F16G17 (1)
Weight, g/mol:	432.247166
ΔH_f, kcal/mol:	-180.98
Dipole, Da:	3.34
IP(EA), eV:	-8.9(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1,3-bis[[(2S)-2-amino-3-methylpentanoyl]oxy]propoxy]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H](C)OC1=CC(=NC(=C1)Cl)SCC2=C(C(=CC=C2)F)F

DOS

IR

Vibrations