Geometry & MOs

Info

ID:	293393
PubChem CID:	117386792
Reduced:	NSO2C13H19 (1)
Stoich.:	ABC2D13E19 (1)
Weight, g/mol:	253.130049
ΔH_f, kcal/mol:	-75.0
Dipole, Da:	5.87
IP(EA), eV:	-8.93(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(3-fluoro-4-methylsulfanylphenyl)cyclohexyl]methanamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C2(CCCN2)C)S(=O)(=O)C

DOS

IR

Vibrations