Geometry & MOs

Info

ID:	205517
PubChem CID:	80114760
Reduced:	NSF2C13H13 (1)
Stoich.:	ABC2D13E13 (1)
Weight, g/mol:	242.111836
ΔH_f, kcal/mol:	-46.65
Dipole, Da:	1.44
IP(EA), eV:	-8.87(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,5-difluoro-4-methylphenyl)-3-methylpentanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1F)C(C2=CSC=C2)NC)F

DOS

IR

Vibrations