Geometry & MOs

Info

ID:	27146
PubChem CID:	815632
Reduced:	OSN2C18H22 (1)
Stoich.:	ABC2D18E22 (1)
Weight, g/mol:	319.033686
ΔH_f, kcal/mol:	-3.49
Dipole, Da:	2.0
IP(EA), eV:	-8.52(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-(1,3-benzodioxol-5-yl)-1,3-thiazolidin-3-yl]-thiophen-2-ylmethanone

Drug info:

PubChemData

Smile

CC[C@H](C1=CC=CC=C1)C(=O)N2CCS[C@H]2C3=CC=CN3C

DOS

IR

Vibrations