Geometry & MOs

Info

ID:	390424
PubChem CID:	134999111
Reduced:	ClSN4C21H21 (1)
Stoich.:	ABC4D21E21 (1)
Weight, g/mol:	280.115818
ΔH_f, kcal/mol:	89.92
Dipole, Da:	5.8
IP(EA), eV:	-8.72(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (4R,5R,6R,7R,8R)-4,5,6,7,8,9-hexahydroxy-2-methylidenenonanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SCC2=NC(=C(N=N2)C3=CC=C(C=C3)Cl)N4CCCC4

DOS

IR

Vibrations