Geometry & MOs

Info

ID:	30728
PubChem CID:	841773
Reduced:	OSF3N3H8C12 (1)
Stoich.:	ABC3D3E8F12 (1)
Weight, g/mol:	294.076433
ΔH_f, kcal/mol:	-127.24
Dipole, Da:	3.19
IP(EA), eV:	-9.25(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-fluoro-2-methylphenyl)-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@]2(NC(=O)N3C=CSC3=N2)C(F)(F)F

DOS

IR

Vibrations