Geometry & MOs

Info

ID:	206330
PubChem CID:	80232374
Reduced:	OSF2H12C13 (1)
Stoich.:	ABC2D12E13 (1)
Weight, g/mol:	309.17625
ΔH_f, kcal/mol:	-103.35
Dipole, Da:	2.24
IP(EA), eV:	-9.05(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4-methylsulfonylaniline

Drug info:

PubChemData

Smile

CC1=CSC=C1C(CC2=C(C=C(C=C2)F)F)O

DOS

IR

Vibrations