Geometry & MOs

Info

ID:	357442
PubChem CID:	127294075
Reduced:	SF2N3O3C17H19 (1)
Stoich.:	AB2C3D3E17F19 (1)
Weight, g/mol:	399.179421
ΔH_f, kcal/mol:	-197.86
Dipole, Da:	4.76
IP(EA), eV:	-8.86(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-1-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopyrrolidine-3-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCSC1)C(=O)CCC2C(=O)N(C(=O)N2)C3=C(C=C(C=C3)F)F

DOS

IR

Vibrations