Geometry & MOs

Info

ID:	341775
PubChem CID:	127264468
Reduced:	SSiO8C38H64 (1)
Stoich.:	ABC8D38E64 (1)
Weight, g/mol:	309.121237
ΔH_f, kcal/mol:	-457.24
Dipole, Da:	3.25
IP(EA), eV:	-8.69(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]carbamate

Drug info:

PubChemData

Smile

CCCCCC(/C=C/[C@H]1[C@@H](C[C@@H]([C@@H]1CC2=CC(=CC=C2)O[Si](C)(C)C(C)(C)C)COS(=O)(=O)C)OC3CCCCO3)OC4CCCCO4

DOS

IR

Vibrations