Geometry & MOs

Info

ID:	233932
PubChem CID:	92252594
Reduced:	O3C7H11 (2)
Stoich.:	A3B7C11 (2)
Weight, g/mol:	334.083472
ΔH_f, kcal/mol:	-240.86
Dipole, Da:	2.55
IP(EA), eV:	-9.93(0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,4R,5R,6R)-4,5-diacetyloxy-6-carbamimidoylsulfanyloxan-3-yl] acetate

Drug info:

PubChemData

Smile

CC1(O[C@H]2[C@H](O1)[C@@H](O[C@@H]3[C@@H]2OC(O3)(C)C)[C@@H](C=C)O)C

DOS

IR

Vibrations