Geometry & MOs

Info

ID:	319997
PubChem CID:	126657778
Reduced:	NH2C3 (4)
Stoich.:	AB2C3 (4)
Weight, g/mol:	462.172562
ΔH_f, kcal/mol:	110.39
Dipole, Da:	3.02
IP(EA), eV:	-9.62(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-[1-[2-(trimethyl-lambda4-sulfanyl)ethoxymethyl]benzimidazol-2-yl]-1,3-benzoxazol-6-yl]pyridin-3-ol

Drug info:

PubChemData

Smile

C1=CC2=C(C=C(C=C2)C3=NC=NC=N3)N=C1

DOS

IR

Vibrations