Geometry & MOs

Info

ID:	373268
PubChem CID:	131312448
Reduced:	ClOSF2H5C10 (1)
Stoich.:	ABCD2E5F10 (1)
Weight, g/mol:	244.123052
ΔH_f, kcal/mol:	-96.29
Dipole, Da:	2.33
IP(EA), eV:	-9.29(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-amino-5-(2-boronopyrrolidin-1-yl)-5-oxopentanoic acid

Drug info:

PubChemData

Smile

C1=CSC2=C1C(=CC(=C2C(F)F)Cl)C=O

DOS

IR

Vibrations