Geometry & MOs

Info

ID:	62529
PubChem CID:	26719838
Reduced:	S2N3O3C15H15 (1)
Stoich.:	A2B3C3D15E15 (1)
Weight, g/mol:	406.1021
ΔH_f, kcal/mol:	-52.32
Dipole, Da:	4.95
IP(EA), eV:	-8.86(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-(4-methoxyphenyl)sulfonyl-N-(3-methylsulfanylphenyl)pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CSC1=CC=CC(=C1)NC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2

DOS

IR

Vibrations