Geometry & MOs

Info

ID:	398823
PubChem CID:	135035612
Reduced:	BrNO4H22C24 (1)
Stoich.:	ABC4D22E24 (1)
Weight, g/mol:	336.091531
ΔH_f, kcal/mol:	-98.42
Dipole, Da:	6.31
IP(EA), eV:	-9.76(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z)-2-diphenylphosphoryl-1-hydroperoxyethenyl]benzene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@@H]([C@@H]([C@H](CO)NC(=O)C2=CC=CC=C2)Br)OC(=O)C3=CC=CC=C3

DOS

IR

Vibrations