Geometry & MOs

Info

ID:	409956
PubChem CID:	135082743
Reduced:	BN2S2F6O6H25C26 (1)
Stoich.:	AB2C2D6E6F25G26 (1)
Weight, g/mol:	369.190009
ΔH_f, kcal/mol:	-516.11
Dipole, Da:	3.97
IP(EA), eV:	-8.66(-1.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS)-1-(2-methoxyphenyl)-3,3-diphenyl-3a,4,5,6-tetrahydropyrrolo[1,2-c][1,3,2]oxazaborole

Drug info:

PubChemData

Smile

B1(N2CCC[C@H]2C(O1)(C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5OC.C(F)(F)(F)S(=O)(=O)NS(=O)(=O)C(F)(F)F

DOS

IR

Vibrations