Geometry & MOs

Info

ID:	406988
PubChem CID:	135079080
Reduced:	BrO5C15H19 (1)
Stoich.:	AB5C15D19 (1)
Weight, g/mol:	529.259325
ΔH_f, kcal/mol:	-180.35
Dipole, Da:	3.13
IP(EA), eV:	-8.57(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2Z)-2-diphenoxyphosphoryloxy-1-azacyclotridec-2-ene-1-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1[C@@H](C(=O)OC1C2=CC(=C(C(=C2Br)OC)OC)OC)C

DOS

IR

Vibrations