Geometry & MOs

Info

ID:	184833
PubChem CID:	77216506
Reduced:	FNO4C20H28 (1)
Stoich.:	ABC4D20E28 (1)
Weight, g/mol:	431.132648
ΔH_f, kcal/mol:	-201.58
Dipole, Da:	4.83
IP(EA), eV:	-8.2(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(3,3-difluoropyrrolidine-1-carbonyl)-4-(6-methylpyridazin-3-yl)sulfonylcyclopentane-1-carboxylate

Drug info:

PubChemData

Smile

CCCOC1CCC(C2C1NCC(C2=O)C3=CC(=C(C=C3)OC)OC)F

DOS

IR

Vibrations