Geometry & MOs

Info

ID:	47051
PubChem CID:	10529184
Reduced:	SN2O5C26H40 (1)
Stoich.:	AB2C5D26E40 (1)
Weight, g/mol:	492.100952
ΔH_f, kcal/mol:	-259.98
Dipole, Da:	4.18
IP(EA), eV:	-8.95(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3R,4R,5S,6S)-3-benzoyloxy-5-(2-chloroacetyl)oxy-2-ethylsulfanyl-6-methyloxan-4-yl] benzoate

Drug info:

PubChemData

Smile

CCCCCCOC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)C2(CCCC2)NC(=O)[C@H](C(C)C)S

DOS

IR

Vibrations