Geometry & MOs

Info

ID:	373792
PubChem CID:	131320107
Reduced:	FSO3H9C11 (1)
Stoich.:	ABC3D9E11 (1)
Weight, g/mol:	251.017163
ΔH_f, kcal/mol:	-135.64
Dipole, Da:	2.63
IP(EA), eV:	-8.61(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chlorophenyl)-(3-methylsulfanyl-1H-pyrrol-2-yl)methanone

Drug info:

PubChemData

Smile

COC(=O)CC1=CC2=C(C=C1)SC(=C2O)F

DOS

IR

Vibrations