Geometry & MOs

Info

ID:	244306
PubChem CID:	99319774
Reduced:	SO2N4C26H26 (1)
Stoich.:	AB2C4D26E26 (1)
Weight, g/mol:	417.196489
ΔH_f, kcal/mol:	37.47
Dipole, Da:	3.84
IP(EA), eV:	-8.93(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-1-(4-fluorophenyl)-N-[(1S)-1-(5-methyl-1-phenylpyrazol-4-yl)ethyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1C2=CC=CC=C2)[C@H](C)NC(=O)/C=C/C3=CC=C(C=C3)OCC4=CSC(=N4)C

DOS

IR

Vibrations