Geometry & MOs

Info

ID:	220634
PubChem CID:	85198113
Reduced:	OCl2N2H12C18 (1)
Stoich.:	AB2C2D12E18 (1)
Weight, g/mol:	343.105587
ΔH_f, kcal/mol:	51.11
Dipole, Da:	4.07
IP(EA), eV:	-9.52(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-2-[(2-oxofuro[2,3-h]chromene-8-carbonyl)amino]pentanoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)C=CC2=C(C=C(C=C2)Cl)Cl)N3C=CN=C3

DOS

IR

Vibrations