Geometry & MOs

Info

ID:	80797
PubChem CID:	49845793
Reduced:	Si3O5C26H56 (1)
Stoich.:	A3B5C26D56 (1)
Weight, g/mol:	488.115441
ΔH_f, kcal/mol:	-441.08
Dipole, Da:	5.46
IP(EA), eV:	-8.5(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-amino-6-(1H-benzimidazol-2-ylsulfanyl)-4-(3-nitrophenyl)-4H-chromene-3-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](OC1=O)[C@@H]([C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations