Geometry & MOs

Info

ID:	243601
PubChem CID:	99233304
Reduced:	FSN2O3C20H23 (1)
Stoich.:	ABC2D3E20F23 (1)
Weight, g/mol:	382.156243
ΔH_f, kcal/mol:	-135.16
Dipole, Da:	4.85
IP(EA), eV:	-8.96(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[2-oxo-2-[(2S)-2-propan-2-ylpyrrolidin-1-yl]ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Drug info:

PubChemData

Smile

CC(C)[C@@H]1CCCN1C(=O)C2=CC=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)F

DOS

IR

Vibrations