Geometry & MOs

Info

ID:	381098
PubChem CID:	134971740
Reduced:	INO10C33H33 (1)
Stoich.:	ABC10D33E33 (1)
Weight, g/mol:	284.102666
ΔH_f, kcal/mol:	-377.54
Dipole, Da:	5.44
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.366087
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S,3S,4R,5R)-2-chloro-3,4,5,6-tetramethoxyhexanoate

Drug info:

PubChemData

Smile

CC(=O)OI1(C2=CC=CC=C2C(=O)O1)(OC(=O)C)[O+](CC3=C4C(CC(C5=CC6=CC=CC=C6N=C54)O)CC3=O)C7CCCCO7

DOS

IR

Vibrations