Geometry & MOs

Info

ID:	229862
PubChem CID:	87569387
Reduced:	Cl2N2O3H10C18 (1)
Stoich.:	A2B2C3D10E18 (1)
Weight, g/mol:	338.130028
ΔH_f, kcal/mol:	-10.15
Dipole, Da:	3.72
IP(EA), eV:	-9.76(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(7-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl)carbamoyl-sulfanylamino]ethyl acetate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)OC2=C(C=CC(=N2)C3=CC(=C(N=C3)Cl)C=O)C=O)Cl

DOS

IR

Vibrations