Geometry & MOs

Info

ID:	168057
PubChem CID:	74917981
Reduced:	N2O5C27H30 (1)
Stoich.:	A2B5C27D30 (1)
Weight, g/mol:	498.161329
ΔH_f, kcal/mol:	-146.78
Dipole, Da:	9.12
IP(EA), eV:	-8.53(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzothiazol-2-yl)-3-[6-ethoxy-3-(4-ethoxyphenyl)-1-benzofuran-5-yl]but-2-enamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C2C(=C1)OC=C2C3=CC(=CC=C3)OC)C(=CC(=O)N4CCN(CC4)C(=O)C)C

DOS

IR

Vibrations