Geometry & MOs

Info

ID:	191755
PubChem CID:	78184133
Reduced:	ON2S2C4H8 (1)
Stoich.:	AB2C2D4E8 (1)
Weight, g/mol:	683.348333
ΔH_f, kcal/mol:	-10.16
Dipole, Da:	5.05
IP(EA), eV:	-9.12(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-chloro-1-(3,4,5-trihydroxy-6-methylsulfanyloxan-2-yl)propyl]-1-methyl-4-propylpyrrolidine-2-carboxamide;4-N-(6-methoxyquinolin-8-yl)pentane-1,4-diamine

Drug info:

PubChemData

Smile

CNC(C(=O)N)C(=S)S

DOS

IR

Vibrations