Geometry & MOs

Info

ID:	404384
PubChem CID:	135066057
Reduced:	BrPN2O3H22C24 (1)
Stoich.:	ABC2D3E22F24 (1)
Weight, g/mol:	496.05514
ΔH_f, kcal/mol:	-63.93
Dipole, Da:	5.36
IP(EA), eV:	-9.52(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (4R,5R)-5-(3-bromophenyl)-1-diphenylphosphoryl-5-methyl-4H-imidazole-4-carboxylate

Drug info:

PubChemData

Smile

C[C@@]1([C@@H](N=CN1P(=O)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC)C4=CC(=CC=C4)Br

DOS

IR

Vibrations