Geometry & MOs

Info

ID:	350573
PubChem CID:	127278608
Reduced:	Cl2N2O3S3H10C12 (1)
Stoich.:	A2B2C3D3E10F12 (1)
Weight, g/mol:	336.150764
ΔH_f, kcal/mol:	-65.8
Dipole, Da:	4.77
IP(EA), eV:	-8.83(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1-dioxo-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]thiolane-3-carboxamide

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CC1C(=O)NC2=NC(=CS2)C3=C(SC(=C3)Cl)Cl

DOS

IR

Vibrations