Geometry & MOs

Info

ID:	178651
PubChem CID:	76362261
Reduced:	SN3O4C21H29 (1)
Stoich.:	AB3C4D21E29 (1)
Weight, g/mol:	340.122321
ΔH_f, kcal/mol:	-146.54
Dipole, Da:	1.85
IP(EA), eV:	-8.35(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-pyrazol-1-ylcyclopentyl) 5-(4-fluorophenyl)furan-2-carboxylate

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2N(C1=CC(=O)CN(C)CC(=O)NC3CCS(=O)(=O)C3)C)C

DOS

IR

Vibrations