Geometry & MOs

Info

ID:	390775
PubChem CID:	135000863
Reduced:	BO6C33H33 (1)
Stoich.:	AB6C33D33 (1)
Weight, g/mol:	322.232807
ΔH_f, kcal/mol:	-168.44
Dipole, Da:	4.53
IP(EA), eV:	-9.46(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,7S)-4-cyclohexyl-2,2-di(propan-2-yl)-7-[(E)-prop-1-enyl]-4,7-dihydro-1,3,2-dioxasilepine

Drug info:

PubChemData

Smile

B1(O[C@H]([C@@H](O1)C(C2=CC=CC=C2)(C3=CC=CC=C3)OC)C(C4=CC=CC=C4)(C5=CC=CC=C5)OC)[C@@H]6[C@H](O6)CO

DOS

IR

Vibrations