Geometry & MOs

Info

ID:	64182
PubChem CID:	29197945
Reduced:	SN3O3C22H27 (1)
Stoich.:	AB3C3D22E27 (1)
Weight, g/mol:	413.177313
ΔH_f, kcal/mol:	-50.76
Dipole, Da:	3.29
IP(EA), eV:	-8.42(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-2-(1H-indol-3-yl)-2-pyrrolidin-1-ylethyl]-1-(3-methoxyphenyl)methanesulfonamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CS(=O)(=O)[N-]C[C@@H](C2=CNC3=CC=CC=C32)[NH+]4CCCC4

DOS

IR

Vibrations