Geometry & MOs

Info

ID:	62114
PubChem CID:	26717613
Reduced:	NCl2O3H15C18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	427.131425
ΔH_f, kcal/mol:	-68.92
Dipole, Da:	2.71
IP(EA), eV:	-8.98(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)hexanamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC(=C(C=C1)Cl)Cl)NC(=O)/C=C/C2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations