Geometry & MOs

Info

ID:	268279
PubChem CID:	103598700
Reduced:	SO2N4H20C21 (1)
Stoich.:	AB2C4D20E21 (1)
Weight, g/mol:	360.195011
ΔH_f, kcal/mol:	11.14
Dipole, Da:	6.5
IP(EA), eV:	-8.98(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-propan-2-yl-N-pyridin-3-ylprop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C2=NN=C(S2)NC(=O)C=CC3=CC=C(C=C3)NC(=O)C)C

DOS

IR

Vibrations