Geometry & MOs

Info

ID:	132478
PubChem CID:	51368308
Reduced:	NO3H10C12 (2)
Stoich.:	AB3C10D12 (2)
Weight, g/mol:	418.116486
ΔH_f, kcal/mol:	-135.71
Dipole, Da:	8.05
IP(EA), eV:	-9.04(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[[3-(furan-2-ylmethylcarbamoyl)-7-oxochromen-2-yl]amino]benzoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(=CC=C1)NC2=C(C=C3C=CC(=O)C=C3O2)C(=O)NCC4=CC=CO4

DOS

IR

Vibrations