Geometry & MOs

Info

ID:	65306
PubChem CID:	29211987
Reduced:	ION2C17H21 (1)
Stoich.:	ABC2D17E21 (1)
Weight, g/mol:	470.188881
ΔH_f, kcal/mol:	10.97
Dipole, Da:	5.07
IP(EA), eV:	-9.23(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[5-[2-(1,3-diphenylpropan-2-ylidene)hydrazinyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenylpropanamide

Drug info:

PubChemData

Smile

C[C@@]1\2CC[C@@H](C1(C)C)C/C2=N\NC(=O)C3=CC=CC=C3I

DOS

IR

Vibrations