Geometry & MOs

Info

ID:	141136
PubChem CID:	52822560
Reduced:	SN2O3C15H16 (1)
Stoich.:	AB2C3D15E16 (1)
Weight, g/mol:	443.137105
ΔH_f, kcal/mol:	-80.78
Dipole, Da:	6.39
IP(EA), eV:	-9.65(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[(1-thiomorpholin-4-ylcyclopentyl)methyl]-1-thiophen-2-ylsulfonylpyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NC=C(S1)C(=O)O[C@H](C)C(=O)NCC2=CC=CC=C2

DOS

IR

Vibrations