Geometry & MOs

Info

ID:	208020
PubChem CID:	80481783
Reduced:	SN3O3H11C12 (1)
Stoich.:	AB3C3D11E12 (1)
Weight, g/mol:	327.984004
ΔH_f, kcal/mol:	-26.65
Dipole, Da:	3.61
IP(EA), eV:	-9.26(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5-dichloro-N-[[3-(3-hydroxyprop-1-ynyl)thiophen-2-yl]methyl]-1H-pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

C1=CSC(=C1C#CCO)CNC(=O)C2=CNC(=O)N2

DOS

IR

Vibrations