Geometry & MOs

Info

ID:	243849
PubChem CID:	99289371
Reduced:	SN3O4C22H33 (1)
Stoich.:	AB3C4D22E33 (1)
Weight, g/mol:	449.117605
ΔH_f, kcal/mol:	-146.17
Dipole, Da:	5.66
IP(EA), eV:	-9.03(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[(3R)-1-cyclopropylpyrrolidin-3-yl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide

Drug info:

PubChemData

Smile

C[C@@H]1CCCC[C@@H]1NS(=O)(=O)C2=C(C=CC(=C2)C(=O)N[C@@H]3CCN(C3)C4CC4)OC

DOS

IR

Vibrations