Geometry & MOs

Info

ID:	398442
PubChem CID:	135033323
Reduced:	SiO5C25H40 (1)
Stoich.:	AB5C25D40 (1)
Weight, g/mol:	349.152537
ΔH_f, kcal/mol:	-282.84
Dipole, Da:	6.75
IP(EA), eV:	-9.01(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(1R,3S,4R,5S,6S)-4-(1,3-benzodioxol-5-yl)-5-hydroxy-7-oxabicyclo[4.1.0]heptan-3-yl]carbamate

Drug info:

PubChemData

Smile

CCCC(=O)O[C@H]1C[C@@]2(C=CC(=O)C(=C2C=C1[C@@](C)(CO[Si](C)(C)C(C)(C)C)O)C)C

DOS

IR

Vibrations