Geometry & MOs

Info

ID:	61137
PubChem CID:	26706023
Reduced:	ClSN3O4C22H24 (1)
Stoich.:	ABC3D4E22F24 (1)
Weight, g/mol:	447.101955
ΔH_f, kcal/mol:	-125.91
Dipole, Da:	9.88
IP(EA), eV:	-9.27(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-5-chloro-N-[4-(3,4,5,6-tetrahydro-2H-azepin-7-ylsulfamoyl)phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC(=NCC1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)[C@@H]3CC4=C(C=CC(=C4)Cl)OC3

DOS

IR

Vibrations