Geometry & MOs

Info

ID:	38617
PubChem CID:	8137258
Reduced:	NSO4C19H21 (1)
Stoich.:	ABC4D19E21 (1)
Weight, g/mol:	415.09687
ΔH_f, kcal/mol:	-113.95
Dipole, Da:	6.69
IP(EA), eV:	-9.1(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[2-(cyclopropylamino)-2-oxoethyl]-3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzamide

Drug info:

PubChemData

Smile

CCNC(=O)[C@H](C)OC(=O)/C(=C/C1=CC=C(C=C1)OC)/C2=CC=CS2

DOS

IR

Vibrations