Geometry & MOs

Info

ID:	309476
PubChem CID:	126546527
Reduced:	ClO6C27H33 (1)
Stoich.:	AB6C27D33 (1)
Weight, g/mol:	389.160023
ΔH_f, kcal/mol:	-237.11
Dipole, Da:	3.75
IP(EA), eV:	-8.72(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-aminophenyl)-2-[2-[4-(3-iminopropylamino)-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]ethanone

Drug info:

PubChemData

Smile

C1CC2(CCC1OC3=CC=C(C=C3)CC4=C(C=CC(=C4)C5C[C@H]([C@@H]([C@H](O5)CO)O)O)Cl)COC2

DOS

IR

Vibrations