Geometry & MOs

Info

ID:	60891
PubChem CID:	26702909
Reduced:	O2S2N3H15C17 (1)
Stoich.:	A2B2C3D15E17 (1)
Weight, g/mol:	486.118418
ΔH_f, kcal/mol:	-24.67
Dipole, Da:	7.84
IP(EA), eV:	-8.5(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[4-(1,3-dithiolan-2-yl)benzoyl]-1,3-diphenylpyrazole-4-carbohydrazide

Drug info:

PubChemData

Smile

C1CSC(S1)C2=CC=C(C=C2)C(=O)NC3=CC4=C(C=C3)NC(=O)N4

DOS

IR

Vibrations