Geometry & MOs

Info

ID:	455
PubChem CID:	2786
Reduced:	ClSN2O5C18H33 (1)
Stoich.:	ABC2D5E18F33 (1)
Weight, g/mol:	424.179871
ΔH_f, kcal/mol:	-271.16
Dipole, Da:	7.7
IP(EA), eV:	-9.14(0.04)
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

Drug info:

PubChemData

Smile

CCCC1CC(N(C1)C)C(=O)NC(C2C(C(C(C(O2)SC)O)O)O)C(C)Cl

DOS

IR

Vibrations