Geometry & MOs

Info

ID:	404207
PubChem CID:	135065394
Reduced:	PN2O4C25H25 (1)
Stoich.:	AB2C4D25E25 (1)
Weight, g/mol:	448.155194
ΔH_f, kcal/mol:	-107.47
Dipole, Da:	6.23
IP(EA), eV:	-9.14(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (4R,5R)-1-diphenylphosphoryl-5-(4-methoxyphenyl)-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=C(C=C4)OC

DOS

IR

Vibrations