Geometry & MOs

Info

ID:	310047
PubChem CID:	126573193
Reduced:	NSO2C11H21 (1)
Stoich.:	ABC2D11E21 (1)
Weight, g/mol:	571.073136
ΔH_f, kcal/mol:	-110.07
Dipole, Da:	5.81
IP(EA), eV:	-8.5(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-[1-[2-chloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-6-methylsulfanylphenyl]pyrazol-4-yl]-2-fluorophenyl]methyl]propanamide

Drug info:

PubChemData

Smile

CC(C)O.CC(C)O.C1=CC(=S)NC=C1

DOS

IR

Vibrations