Geometry & MOs

Info

ID:	382948
PubChem CID:	134974394
Reduced:	NSO2C11H13 (1)
Stoich.:	ABC2D11E13 (1)
Weight, g/mol:	654.11593
ΔH_f, kcal/mol:	-55.61
Dipole, Da:	4.97
IP(EA), eV:	-9.17(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3S,4R,5R,6S)-3,4-diacetyloxy-6-[(2R,3R,4S,5R,6R)-4,5-diacetyloxy-2-(acetyloxymethyl)-6-bromooxan-3-yl]oxy-5-methyloxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

C1C[C@]([C@@H]1SC2=CC=CC=C2)(C(=O)O)N

DOS

IR

Vibrations