Geometry & MOs

Info

ID:	298514
PubChem CID:	117650475
Reduced:	S2F3O4H15C21 (1)
Stoich.:	A2B3C4D15E21 (1)
Weight, g/mol:	327.088688
ΔH_f, kcal/mol:	-233.74
Dipole, Da:	6.01
IP(EA), eV:	-9.22(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloropyridin-2-yl)-N,5-dimethyl-N-pyridin-3-ylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(=C)C(=O)SC1=C(C=C(C=C1)OC(=O)C2=CC=C(C=C2)SC(=O)C=C)C(F)(F)F

DOS

IR

Vibrations