Geometry & MOs

Info

ID:	448730
PubChem CID:	135293069
Reduced:	SO2F5C12H13 (1)
Stoich.:	AB2C5D12E13 (1)
Weight, g/mol:	480.087924
ΔH_f, kcal/mol:	-329.62
Dipole, Da:	3.18
IP(EA), eV:	-9.03(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[1-[[6-cyano-5-(trifluoromethyl)pyridin-3-yl]-methylcarbamoyl]cyclobutyl]-methanethioylamino]-2-fluorobenzoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)OCCCC(C(F)(F)F)(F)F

DOS

IR

Vibrations