Geometry & MOs

Info

ID:	80034
PubChem CID:	49832320
Reduced:	ClO7N10C35H47 (1)
Stoich.:	AB7C10D35E47 (1)
Weight, g/mol:	342.146724
ΔH_f, kcal/mol:	-224.23
Dipole, Da:	9.0
IP(EA), eV:	-8.65(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-hexanoyl-3-[(E)-prop-1-enyl]-9,9a-dihydro-6aH-furo[2,3-h]isochromene-6,8-dione

Drug info:

PubChemData

Smile

CC1C(=O)N2C(CCCN2)C(=O)N3C(CC4(C3NC5=C4C=CC(=C5)Cl)O)C(=O)NC(C(=O)N6C(CCC=N6)C(=O)N7C(CCCN7)C(=O)N1C)C(C)C

DOS

IR

Vibrations