Geometry & MOs

Info

ID:	140595
PubChem CID:	52727531
Reduced:	SCl2O3N4H12C15 (1)
Stoich.:	AB2C3D4E12F15 (1)
Weight, g/mol:	331.1606
ΔH_f, kcal/mol:	0.43
Dipole, Da:	1.88
IP(EA), eV:	-9.71(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(3-methoxypropyl)-2,5-dimethylpyrrol-3-yl]-2-(2-methylphenyl)sulfanylethanone

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=C(C=C1)N2C(=NN=N2)COC3=C(C(=CC=C3)Cl)Cl

DOS

IR

Vibrations