Geometry & MOs

Info

ID:	157404
PubChem CID:	56424023
Reduced:	OSCl2N2C18H20 (1)
Stoich.:	ABC2D2E18F20 (1)
Weight, g/mol:	437.177313
ΔH_f, kcal/mol:	-37.71
Dipole, Da:	3.02
IP(EA), eV:	-8.99(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-oxo-3-phenyl-1-[3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propylamino]propan-2-yl]furan-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)N=C(S2)CCCNC(=O)CC3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations