Geometry & MOs

Info

ID:	404206
PubChem CID:	135065392
Reduced:	ClN3C12H14 (1)
Stoich.:	AB3C12D14 (1)
Weight, g/mol:	448.155194
ΔH_f, kcal/mol:	62.35
Dipole, Da:	4.47
IP(EA), eV:	-9.74(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCC(C(C1)N=[N+]=[N-])(C2=CC=CC=C2)Cl

DOS

IR

Vibrations