Geometry & MOs

Info

ID:	34468
PubChem CID:	7978501
Reduced:	ClN3O3H14C18 (1)
Stoich.:	AB3C3D14E18 (1)
Weight, g/mol:	382.073576
ΔH_f, kcal/mol:	-12.63
Dipole, Da:	5.73
IP(EA), eV:	-9.55(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(4-cyanophenoxy)acetyl]-3-oxo-4H-1,4-benzothiazine-6-carbohydrazide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)/C=C/C(=O)NNC(=O)COC2=CC=C(C=C2)C#N)Cl

DOS

IR

Vibrations