Geometry & MOs

Info

ID:	165801
PubChem CID:	74599841
Reduced:	N4O5C24H28 (1)
Stoich.:	A4B5C24D28 (1)
Weight, g/mol:	500.20597
ΔH_f, kcal/mol:	-174.67
Dipole, Da:	6.24
IP(EA), eV:	-9.7(-0.95)
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)-ethylamino]-2-oxoethyl] 4-phenylbenzoate

Drug info:

PubChemData

Smile

CCN(C1C(N(C(=O)NC1=O)CC2=CC=CC=C2)N)C(=O)COC(=O)C3=C(C=CC(=C3)C)C

DOS

IR

Vibrations