Geometry & MOs

Info

ID:	61741
PubChem CID:	26712290
Reduced:	ClNO5C22H24 (1)
Stoich.:	ABC5D22E24 (1)
Weight, g/mol:	326.072513
ΔH_f, kcal/mol:	-153.32
Dipole, Da:	5.56
IP(EA), eV:	-8.42(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-benzothiazole-6-carboxamide

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=C(C=C1Cl)/C=C/C(=O)NC2=CC3=C(C=C2)OCCCO3)OC

DOS

IR

Vibrations