Geometry & MOs

Info

ID:	397874
PubChem CID:	135030876
Reduced:	O3Cl6C12H13 (1)
Stoich.:	A3B6C12D13 (1)
Weight, g/mol:	476.274672
ΔH_f, kcal/mol:	-118.1
Dipole, Da:	5.81
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.760365
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R)-1-[tert-butyl(diphenyl)silyl]oxy-2-methyl-6-phenylmethoxyhexan-3-ol

Drug info:

PubChemData

Smile

C[C@]12[C@H]3CC[C@@H]([C@H]1O[C@]2(O[C@H](C3)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl)[O-]

DOS

IR

Vibrations