Geometry & MOs

Info

ID:	224422
PubChem CID:	85342754
Reduced:	ClNSH6C11 (2)
Stoich.:	ABCD6E11 (2)
Weight, g/mol:	439.145344
ΔH_f, kcal/mol:	132.09
Dipole, Da:	3.23
IP(EA), eV:	-9.02(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-amino-3-hydroxy-3-methyl-1-oxo-4-phenylsulfanylbutan-2-yl) 3-methoxy-5-methylnaphthalene-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)C2=NC3=C(C=CS3)C(=NC4=C2C=CS4)C5=CC(=CC=C5)Cl

DOS

IR

Vibrations