Geometry & MOs

Info

ID:	206142
PubChem CID:	80211562
Reduced:	ClNO2S2C14H22 (1)
Stoich.:	ABC2D2E14F22 (1)
Weight, g/mol:	296.226392
ΔH_f, kcal/mol:	-91.41
Dipole, Da:	3.89
IP(EA), eV:	-9.43(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[butyl-[3-(3-fluoro-4-methylphenyl)-3-(methylamino)propyl]amino]ethanol

Drug info:

PubChemData

Smile

CC(C)CN(C1CCCC1)S(=O)(=O)C2=CSC(=C2)CCl

DOS

IR

Vibrations