Geometry & MOs

Info

ID:	65017
PubChem CID:	29204337
Reduced:	SCl3N3O3C14H18 (1)
Stoich.:	AB3C3D3E14F18 (1)
Weight, g/mol:	414.971581
ΔH_f, kcal/mol:	-123.95
Dipole, Da:	1.67
IP(EA), eV:	-9.49(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-benzothiazol-2-ylmethoxy)-N'-(2,4,6-trichlorophenyl)acetohydrazide

Drug info:

PubChemData

Smile

CCS(=O)(=O)N1CCC(CC1)C(=O)NNC2=C(C=C(C=C2Cl)Cl)Cl

DOS

IR

Vibrations