Geometry & MOs

Info

ID:	135667
PubChem CID:	51912821
Reduced:	FSN2O5C26H27 (1)
Stoich.:	ABC2D5E26F27 (1)
Weight, g/mol:	369.088223
ΔH_f, kcal/mol:	-201.9
Dipole, Da:	6.65
IP(EA), eV:	-8.75(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-oxopropyl (2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)pyrrolidine-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)NC(=O)COC(=O)[C@@H](CC2=CC=CC=C2)NS(=O)(=O)C3=CC=CC=C3F)C

DOS

IR

Vibrations