Geometry & MOs

Info

ID:	132477
PubChem CID:	51368289
Reduced:	FN2O4H19C23 (1)
Stoich.:	AB2C4D19E23 (1)
Weight, g/mol:	432.132136
ΔH_f, kcal/mol:	-93.77
Dipole, Da:	5.13
IP(EA), eV:	-8.72(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)F)N=C2C(=CC3=C(O2)C(=CC=C3)OC)C(=O)NCC4=CC=CO4

DOS

IR

Vibrations