Geometry & MOs

Info

ID:	393351
PubChem CID:	135020261
Reduced:	ClSi2O7C41H73 (1)
Stoich.:	AB2C7D41E73 (1)
Weight, g/mol:	380.147118
ΔH_f, kcal/mol:	-479.43
Dipole, Da:	3.6
IP(EA), eV:	-8.79(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,6S)-3,4-diacetyloxy-5-methyl-6-phenoxyoxan-2-yl]methyl acetate

Drug info:

Smile

C[C@@H]1C/C=C/[C@](C(=O)O[C@H](C/C=C/[C@@H]([C@H](/C(=C/C(=O)O[C@H]1C[C@@H](C)[C@H](C)O[Si](C)(C)C(C)(C)C)/C)C)O[Si](C)(C)C(C)(C)C)CC(=C)CCl)(C)O

DOS

IR

Vibrations