Geometry & MOs

Info

ID:	64249
PubChem CID:	29198694
Reduced:	FSN3O3C20H22 (1)
Stoich.:	ABC3D3E20F22 (1)
Weight, g/mol:	430.131091
ΔH_f, kcal/mol:	-94.46
Dipole, Da:	2.58
IP(EA), eV:	-8.41(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-2-(1H-indol-3-yl)-2-morpholin-4-ylethyl]-3-nitrobenzenesulfonamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations