Geometry & MOs

Info

ID:	243497
PubChem CID:	99224378
Reduced:	BrFSN2O3C14H18 (1)
Stoich.:	ABCD2E3F14G18 (1)
Weight, g/mol:	412.130422
ΔH_f, kcal/mol:	-159.52
Dipole, Da:	2.64
IP(EA), eV:	-9.41(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 5-[[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl]sulfamoyl]benzene-1,3-dicarboxylate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1CCCC1)NS(=O)(=O)C2=C(C=C(C=C2)F)Br

DOS

IR

Vibrations