Geometry & MOs

Info

ID:	297494
PubChem CID:	117618986
Reduced:	NSO2C14H15 (1)
Stoich.:	ABC2D14E15 (1)
Weight, g/mol:	338.124212
ΔH_f, kcal/mol:	-22.06
Dipole, Da:	3.51
IP(EA), eV:	-8.77(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3R)-3-[1-(difluoromethyl)pyrazol-4-yl]-1-(3-fluoro-2-methylphenyl)cyclopentane-1-carboxylic acid

Drug info:

PubChemData

Smile

C1CCC(C1)(C2=CC=CC3=C2SC=C3)C(=O)NO

DOS

IR

Vibrations