Geometry & MOs

Info

ID:	65291
PubChem CID:	29211924
Reduced:	FN3O3H24C25 (1)
Stoich.:	AB3C3D24E25 (1)
Weight, g/mol:	393.162332
ΔH_f, kcal/mol:	-93.08
Dipole, Da:	6.59
IP(EA), eV:	-9.18(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-diphenylpropan-2-ylideneamino)-3-(2-ethenoxyethylsulfanyl)-1H-1,2,4-triazol-5-amine

Drug info:

PubChemData

Smile

C[C@@]1\2CC[C@@H](C1(C)C)C/C2=N\NC(=O)C3=CC4=C(C=C3)C(=O)N(C4=O)C5=CC=C(C=C5)F

DOS

IR

Vibrations