Geometry & MOs

Info

ID:	202300
PubChem CID:	79654051
Reduced:	N2O2F3C12H19 (1)
Stoich.:	A2B2C3D12E19 (1)
Weight, g/mol:	300.110791
ΔH_f, kcal/mol:	-248.17
Dipole, Da:	5.69
IP(EA), eV:	-9.49(0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,4-difluorophenyl)sulfanyl-1-(ethylamino)cyclopentane-1-carboxamide

Drug info:

PubChemData

Smile

CC(C(F)(F)F)OC1CCC(C1)(C(=O)N)NC2CC2

DOS

IR

Vibrations