Geometry & MOs

Info

ID:	221812
PubChem CID:	85286168
Reduced:	N6O13C24H46 (1)
Stoich.:	A6B13C24D46 (1)
Weight, g/mol:	626.203312
ΔH_f, kcal/mol:	-595.86
Dipole, Da:	4.22
IP(EA), eV:	-9.65(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-acetyloxy-6-ethylsulfanyl-2-methyl-4-(3,4,5-triacetyloxy-6-methyloxan-2-yl)oxyoxan-3-yl] benzoate

Drug info:

PubChemData

Smile

CC(C(=O)NC(C)C(=O)NC1CC(C(C(C1OC2C(C(C(C(O2)CO)O)N)O)O)OC3C(C(C(C(O3)CN)O)O)O)N)N

DOS

IR

Vibrations