Geometry & MOs

Info

ID:	71040
PubChem CID:	48414210
Reduced:	S2O3N4C16H16 (1)
Stoich.:	A2B3C4D16E16 (1)
Weight, g/mol:	392.157244
ΔH_f, kcal/mol:	-27.5
Dipole, Da:	4.05
IP(EA), eV:	-9.24(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-propan-2-yl-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=CS3

DOS

IR

Vibrations