Geometry & MOs

Info

ID:	181965
PubChem CID:	76821407
Reduced:	ClF3N4O5C23H24 (1)
Stoich.:	AB3C4D5E23F24 (1)
Weight, g/mol:	498.166998
ΔH_f, kcal/mol:	-352.09
Dipole, Da:	4.73
IP(EA), eV:	-9.1(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[3-[(4-chlorophenyl)methyl]-4-[(2-methyl-1-benzofuran-5-yl)amino]-2,6-dioxo-1,3,5-triazinan-1-yl]butanoate

Drug info:

PubChemData

Smile

CC(C)(CN1C(=O)NC(N(C1=O)CC2=CC=C(C=C2)Cl)NC3=CC(=CC=C3)OC(F)(F)F)C(=O)OC

DOS

IR

Vibrations