Geometry & MOs

Info

ID:	193052
PubChem CID:	78337588
Reduced:	O3N7C26H39 (1)
Stoich.:	A3B7C26D39 (1)
Weight, g/mol:	275.142939
ΔH_f, kcal/mol:	-61.61
Dipole, Da:	3.89
IP(EA), eV:	-8.58(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[6-hydroxy-1-(4-methylpentyl)-2,4-dioxo-1,3-diazinan-5-yl]-dimethylsulfanium

Drug info:

PubChemData

Smile

CC1CC(C2C(C1)CC(C(=O)N2)C(C3=NN=NN3CCOC)N4CCN(CC4)C5=CC=C(C=C5)O)C

DOS

IR

Vibrations