Geometry & MOs

Info

ID:	168576
PubChem CID:	74989523
Reduced:	O9C25H30 (1)
Stoich.:	A9B25C30 (1)
Weight, g/mol:	445.257671
ΔH_f, kcal/mol:	-311.04
Dipole, Da:	4.27
IP(EA), eV:	-8.85(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[[2-(6-methoxy-3-oxo-1,2-dihydroinden-1-yl)acetyl]amino]-4-methylpentanoyl]amino]-4-methylpentanamide

Drug info:

PubChemData

Smile

COCCOC1C2C(CO1)C(C3=CC4=C(C=C3C2C5=CC(=C(C(=C5)OC)OC)OC)OCO4)O

DOS

IR

Vibrations