Geometry & MOs

Info

ID:	165044
PubChem CID:	74488620
Reduced:	N3O3C23H36 (1)
Stoich.:	A3B3C23D36 (1)
Weight, g/mol:	485.182982
ΔH_f, kcal/mol:	-106.47
Dipole, Da:	3.4
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753311
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(6-amino-1-benzyl-2,4-dioxo-1,3-diazinan-5-yl)-ethylamino]-4-oxobutyl]-4-chlorobenzamide

Drug info:

PubChemData

Smile

CC(C)CN1C(=O)C2(CC[NH+](CC2)C(C)COC)N(C1=O)CCC3=CC=CC=C3

DOS

IR

Vibrations