Geometry & MOs

Info

ID:	124462
PubChem CID:	50884689
Reduced:	BrN2O3C20H23 (1)
Stoich.:	AB2C3D20E23 (1)
Weight, g/mol:	365.064785
ΔH_f, kcal/mol:	-67.73
Dipole, Da:	7.87
IP(EA), eV:	-8.42(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyanomethyl 4-[5-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]furan-2-yl]benzoate

Drug info:

PubChemData

Smile

CC(C)COC1=C(C=C(C=C1Br)C=NC2=CC=C(C=C2)NC(=O)C)OC

DOS

IR

Vibrations