Geometry & MOs

Info

ID:	404383
PubChem CID:	135066056
Reduced:	BrPSN2O3H24C25 (1)
Stoich.:	ABCD2E3F24G25 (1)
Weight, g/mol:	496.05514
ΔH_f, kcal/mol:	-77.4
Dipole, Da:	4.94
IP(EA), eV:	-8.56(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@]1([C@@](NC(=S)N1P(=O)(C2=CC=CC=C2)C3=CC=CC=C3)(C)C(=O)OC)C4=CC=C(C=C4)Br

DOS

IR

Vibrations