Geometry & MOs

Info

ID:	170652
PubChem CID:	75263561
Reduced:	O3N4C16H28 (1)
Stoich.:	A3B4C16D28 (1)
Weight, g/mol:	496.232185
ΔH_f, kcal/mol:	-157.32
Dipole, Da:	5.47
IP(EA), eV:	-9.03(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(6-amino-1-benzyl-2,4-dioxo-1,3-diazinan-5-yl)-(2-methylpropyl)amino]-2-oxoethyl] 2-(2-methylphenoxy)acetate

Drug info:

PubChemData

Smile

CCCN1C(C(C(=O)NC1=O)C(=O)CN2CC(CC(C2)C)C)N

DOS

IR

Vibrations