Geometry & MOs

Info

ID:	434797
PubChem CID:	135175718
Reduced:	ClF2N3O4C35H38 (1)
Stoich.:	AB2C3D4E35F38 (1)
Weight, g/mol:	295.127586
ΔH_f, kcal/mol:	-224.1
Dipole, Da:	6.71
IP(EA), eV:	-9.38(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[3-[methyl(1-sulfanylethyl)amino]propoxy]ethoxy]-3-sulfanylbutan-2-one

Drug info:

PubChemData

Smile

C1CCC(CC1)COC2=CC=C(C=C2)C(=O)C(=O)N[C@H](C(=O)N3CCC(CC3)N)C(C4=CC=C(C=C4)C5=CC=C(C=C5)Cl)(F)F

DOS

IR

Vibrations