Geometry & MOs

Info

ID:	65263
PubChem CID:	29204683
Reduced:	ClN2O2C11H13 (2)
Stoich.:	AB2C2D11E13 (2)
Weight, g/mol:	481.062983
ΔH_f, kcal/mol:	-142.26
Dipole, Da:	3.49
IP(EA), eV:	-9.12(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,4-dichlorophenoxy)-N'-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoyl]butanehydrazide

Drug info:

PubChemData

Smile

CC(C)NC(=O)NCC1=CC=C(C=C1)C(=O)NNC(=O)CCCOC2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations