Geometry & MOs

Info

ID:	139926
PubChem CID:	52618630
Reduced:	N3O6H19C21 (1)
Stoich.:	A3B6C19D21 (1)
Weight, g/mol:	431.040976
ΔH_f, kcal/mol:	-100.52
Dipole, Da:	8.16
IP(EA), eV:	-9.67(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R)-3,5-dithiophen-2-yl-3,4-dihydropyrazol-2-yl]-2-(2-fluoro-4-nitrophenoxy)ethanone

Drug info:

PubChemData

Smile

C[C@]1(C(=O)N(C(=O)N1)CCCOC2=CC=C(C=C2)[N+](=O)[O-])C3=CC4=CC=CC=C4O3

DOS

IR

Vibrations