Geometry & MOs

Info

ID:	431167
PubChem CID:	135171237
Reduced:	OF3N3C17H20 (1)
Stoich.:	AB3C3D17E20 (1)
Weight, g/mol:	478.180744
ΔH_f, kcal/mol:	-170.74
Dipole, Da:	3.93
IP(EA), eV:	-8.99(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[2-[2-[3-[(5-hydroxythiolane-2-carbonyl)amino]propoxy]ethoxy]ethoxy]propyl]-5-oxothiolane-2-carboxamide

Drug info:

PubChemData

Smile

C1C[C@H](C[C@H](C1)N(CC(F)(F)F)C(=O)C2=CC3=CC=CC=C3N2)N

DOS

IR

Vibrations