Geometry & MOs

Info

ID:	288911
PubChem CID:	104328254
Reduced:	FOSN2H15C16 (1)
Stoich.:	ABCD2E15F16 (1)
Weight, g/mol:	278.06376
ΔH_f, kcal/mol:	-34.52
Dipole, Da:	5.06
IP(EA), eV:	-8.58(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-carbamothioyl-1H-pyrazol-5-yl)-4-fluoro-2-methylbenzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)C(=O)N(C)C2=CC=CC(=C2)C(=S)N

DOS

IR

Vibrations