Geometry & MOs

Info

ID:	228829
PubChem CID:	87565896
Reduced:	FNO2S2C23H24 (1)
Stoich.:	ABC2D2E23F24 (1)
Weight, g/mol:	618.336375
ΔH_f, kcal/mol:	-47.7
Dipole, Da:	2.16
IP(EA), eV:	-8.83(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2,3-bis[[(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]oxy]propoxy]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC(=O)SC\1CCN(C/C1=C\C2=CSC=C2)C(C3=CC=CC=C3F)C(=O)C4CC4

DOS

IR

Vibrations