Geometry & MOs

Info

ID:	269711
PubChem CID:	103618739
Reduced:	ClNO5C13H16 (1)
Stoich.:	ABC5D13E16 (1)
Weight, g/mol:	312.990863
ΔH_f, kcal/mol:	-202.01
Dipole, Da:	2.44
IP(EA), eV:	-9.21(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-chloro-2-[(5-chlorofuran-2-carbonyl)amino]benzoate

Drug info:

PubChemData

Smile

COCCOCC(=O)NC1=C(C=C(C=C1)Cl)C(=O)OC

DOS

IR

Vibrations