Geometry & MOs

Info

ID:	38460
PubChem CID:	8097211
Reduced:	BrN2O2H15C18 (1)
Stoich.:	AB2C2D15E18 (1)
Weight, g/mol:	400.087078
ΔH_f, kcal/mol:	-11.76
Dipole, Da:	3.18
IP(EA), eV:	-9.66(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,5-difluoroanilino)-2-oxoethyl] 4-(furan-2-carbonylamino)benzoate

Drug info:

PubChemData

Smile

CC1=C(N=C2C=C(C=CC2=N1)C(=O)OCC3=CC(=CC=C3)Br)C

DOS

IR

Vibrations