Geometry & MOs

Info

ID:	306136
PubChem CID:	125001717
Reduced:	FN3O3C22H22 (1)
Stoich.:	AB3C3D22E22 (1)
Weight, g/mol:	432.216141
ΔH_f, kcal/mol:	-80.19
Dipole, Da:	4.9
IP(EA), eV:	-9.6(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R)-1-(2-oxo-1,3-dihydroimidazole-4-carbonyl)-6-[(2-phenylphenyl)methyl]-4-propyl-1,4-diazepan-5-one

Drug info:

PubChemData

Smile

C1CCN([C@H](C1)C2=NC=C(O2)CC3=CC=CC=C3F)C(=O)COC4=CN=CC=C4

DOS

IR

Vibrations