Geometry & MOs

Info

ID:	178569
PubChem CID:	76350454
Reduced:	OF3N4C20H27 (1)
Stoich.:	AB3C4D20E27 (1)
Weight, g/mol:	479.266318
ΔH_f, kcal/mol:	-164.46
Dipole, Da:	5.41
IP(EA), eV:	-8.68(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-amino-2,4-dioxo-1-propyl-1,3-diazinan-5-yl)-N-butyl-2-[3-(4-chlorophenyl)pentan-3-ylamino]acetamide

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(NN2)C(=O)N3CCN(CC3)CC4=CC=CC=C4C(F)(F)F

DOS

IR

Vibrations