Geometry & MOs

Info

ID:	188449
PubChem CID:	77719174
Reduced:	SF2O3N5C19H21 (1)
Stoich.:	AB2C3D5E19F21 (1)
Weight, g/mol:	433.257671
ΔH_f, kcal/mol:	-154.82
Dipole, Da:	2.82
IP(EA), eV:	-8.83(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5,6-dimethyl-1-oxo-1-[[4-oxo-2-(pyrrolidin-1-ylmethyl)oxolan-3-yl]amino]heptan-2-yl]furan-3-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1C=NC2=C(N1)N=C(N=C2NC(C)CO)SCC3=C(C(=CC=C3)F)F

DOS

IR

Vibrations