Geometry & MOs

Info

ID:	357815
PubChem CID:	127294658
Reduced:	S2N3O3C14H27 (1)
Stoich.:	A2B3C3D14E27 (1)
Weight, g/mol:	321.118084
ΔH_f, kcal/mol:	-153.73
Dipole, Da:	8.37
IP(EA), eV:	-8.39(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-N-(2-thiomorpholin-4-ylsulfonylethyl)pyrrolidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(CC1)C(=O)NCCS(=O)(=O)N2CCSCC2

DOS

IR

Vibrations