Geometry & MOs

Info

ID:	434685
PubChem CID:	135175480
Reduced:	FNO4C18H28 (1)
Stoich.:	ABC4D18E28 (1)
Weight, g/mol:	353.111936
ΔH_f, kcal/mol:	-216.8
Dipole, Da:	3.4
IP(EA), eV:	-7.95(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-sulfanyl-3-[3-[3-[4-[(1S)-1-(sulfanylamino)ethyl]phenyl]prop-2-ynoxy]propoxy]propan-2-one

Drug info:

PubChemData

Smile

CC(C)NC1=CC(=C(C=C1)OCCCOCCCOCC(=O)C)F

DOS

IR

Vibrations