Geometry & MOs

Info

ID:	64993
PubChem CID:	29204306
Reduced:	SCl3N3O3H16C17 (1)
Stoich.:	AB3C3D3E16F17 (1)
Weight, g/mol:	421.957253
ΔH_f, kcal/mol:	-89.06
Dipole, Da:	4.03
IP(EA), eV:	-8.96(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N'-(2,4,6-trichlorophenyl)-3,4-dihydro-2H-1,5-benzodioxepine-8-carbohydrazide

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=O)NNC3=C(C=C(C=C3Cl)Cl)Cl

DOS

IR

Vibrations