Geometry & MOs

Info

ID:	40347
PubChem CID:	8143972
Reduced:	FSO2N4C21H24 (1)
Stoich.:	ABC2D4E21F24 (1)
Weight, g/mol:	292.157563
ΔH_f, kcal/mol:	4.0
Dipole, Da:	4.28
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.793876
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(1-ethoxyethenyl)-2,5-diphenyl-3,4-dihydropyrazole

Drug info:

PubChemData

Smile

C[C@H](C1=NN(C(=S)O1)C[NH+]2CCN(CC2)C3=CC=CC=C3)OC4=CC=CC=C4F

DOS

IR

Vibrations