Geometry & MOs

Info

ID:	128065
PubChem CID:	51029459
Reduced:	NO8C27H43 (1)
Stoich.:	AB8C27D43 (1)
Weight, g/mol:	346.038816
ΔH_f, kcal/mol:	-419.71
Dipole, Da:	5.2
IP(EA), eV:	-9.04(1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-1-(3H-benzimidazol-5-yl)-5-(3,4-dichlorophenyl)imidazolidin-2-one

Drug info:

PubChemData

Smile

C[C@H]1CCC2C(C3[C@@H](CN2C1)C4C[C@@]56C([C@@]4([C@H]([C@@H]3O)O)O)C(CC7[C@@]5(CC[C@@H]([C@@]7(O6)O)O)C)O)(C)O

DOS

IR

Vibrations