Geometry & MOs

Info

ID:	127328
PubChem CID:	50998675
Reduced:	BN2O9C27H33 (1)
Stoich.:	AB2C9D27E33 (1)
Weight, g/mol:	211.951034
ΔH_f, kcal/mol:	-401.62
Dipole, Da:	3.13
IP(EA), eV:	-8.77(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2,5-difluorobenzenesulfinic acid

Drug info:

PubChemData

Smile

B1(OC(=O)CN(CC(=O)O1)C)C2=C(C=CC(=C2)C[C@H](C(=O)OCC3=CC=CC=C3)NC(=O)OC(C)(C)C)OC

DOS

IR

Vibrations