Geometry & MOs

Info

ID:	440244
PubChem CID:	135230175
Reduced:	FN2S2O4C25H29 (1)
Stoich.:	AB2C2D4E25F29 (1)
Weight, g/mol:	133.092521
ΔH_f, kcal/mol:	-136.02
Dipole, Da:	1.58
IP(EA), eV:	-9.11(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(methylamino)pentane-1-thiol

Drug info:

PubChemData

Smile

CC1C=CC=CC1CN(CC2=CC=C(C=C2)F)S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCCC4

DOS

IR

Vibrations