Geometry & MOs

Info

ID:	401921
PubChem CID:	135053388
Reduced:	SO5H12C18 (1)
Stoich.:	AB5C12D18 (1)
Weight, g/mol:	196.010662
ΔH_f, kcal/mol:	-64.21
Dipole, Da:	4.45
IP(EA), eV:	-8.68(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-fluoro-1H-pyrazol-5-yl)-thiophen-2-ylmethanone

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)SC2=C(C(=O)C2=O)C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations