Geometry & MOs

Info

ID:	64238
PubChem CID:	29198629
Reduced:	BrSN3O3C20H22 (1)
Stoich.:	ABC3D3E20F22 (1)
Weight, g/mol:	399.161663
ΔH_f, kcal/mol:	-41.46
Dipole, Da:	5.63
IP(EA), eV:	-8.82(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-2-(1H-indol-3-yl)-2-morpholin-4-ylethyl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

C1COCCN1[C@H](CNS(=O)(=O)C2=CC=C(C=C2)Br)C3=CNC4=CC=CC=C43

DOS

IR

Vibrations