Geometry & MOs

Info

ID:	393796
PubChem CID:	135021708
Reduced:	O7C12H14 (1)
Stoich.:	A7B12C14 (1)
Weight, g/mol:	415.130088
ΔH_f, kcal/mol:	-243.69
Dipole, Da:	1.4
IP(EA), eV:	-10.26(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (4S,5R)-5-[[(4-methoxyphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-2-oxo-1,3,2-dioxathiolane-4-carboxylate

Drug info:

PubChemData

Smile

CC1(O[C@H]2[C@@H](O1)O[C@H]3[C@]24[C@H](CC(=O)O4)OC3C=O)C

DOS

IR

Vibrations