Geometry & MOs

Info

ID:	64174
PubChem CID:	29197784
Reduced:	SO3N4C24H31 (1)
Stoich.:	AB3C4D24E31 (1)
Weight, g/mol:	444.16314
ΔH_f, kcal/mol:	-74.66
Dipole, Da:	5.7
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.143633
Charge, e:	0

Chem-info

IUPAC name:

N-[2-fluoro-4-[[(2S)-2-(1H-indol-3-yl)-2-pyrrolidin-1-ylethyl]sulfamoyl]phenyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1NC(=O)C)C)S(=O)(=O)NC[C@@H](C2=CNC3=CC=CC=C32)[NH+]4CCCC4

DOS

IR

Vibrations