Geometry & MOs

Info

ID:	207781
PubChem CID:	80449127
Reduced:	ClNSO2C14H22 (1)
Stoich.:	ABCD2E14F22 (1)
Weight, g/mol:	287.135528
ΔH_f, kcal/mol:	-94.4
Dipole, Da:	3.86
IP(EA), eV:	-8.94(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-fluorophenyl)sulfonyl-3-methyl-N-propylbutan-2-amine

Drug info:

PubChemData

Smile

CCC(C)C(CS(=O)(=O)C1=CC=C(C=C1)Cl)NCC

DOS

IR

Vibrations