Geometry & MOs

Info

ID:	32572
PubChem CID:	7845774
Reduced:	NO5C23H25 (1)
Stoich.:	AB5C23D25 (1)
Weight, g/mol:	409.109627
ΔH_f, kcal/mol:	-148.91
Dipole, Da:	6.33
IP(EA), eV:	-8.54(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]-1-ethylbenzimidazole-5-carboxylate

Drug info:

PubChemData

Smile

C[C@H]1CC2=CC=CC=C2N1C(=O)[C@@H](C)OC(=O)/C=C/C3=C(C(=CC=C3)OC)OC

DOS

IR

Vibrations