Geometry & MOs

Info

ID:	136048
PubChem CID:	51971109
Reduced:	SN3O4H19C25 (1)
Stoich.:	AB3C4D19E25 (1)
Weight, g/mol:	394.167477
ΔH_f, kcal/mol:	-41.96
Dipole, Da:	1.91
IP(EA), eV:	-9.1(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]oxamide

Drug info:

PubChemData

Smile

CN1[C@H]([C@@H](C2=CC=CC=C2C1=O)C(=O)NC3=NC4=CC=CC=C4S3)C5=CC6=C(C=C5)OCO6

DOS

IR

Vibrations