Geometry & MOs

Info

ID:	64176
PubChem CID:	29197789
Reduced:	FSO3N4C22H26 (1)
Stoich.:	ABC3D4E22F26 (1)
Weight, g/mol:	413.177313
ΔH_f, kcal/mol:	-102.86
Dipole, Da:	6.25
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.147407
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C=C(C=C1)S(=O)(=O)NC[C@@H](C2=CNC3=CC=CC=C32)[NH+]4CCCC4)F

DOS

IR

Vibrations