Geometry & MOs

Info

ID:	165748
PubChem CID:	74591067
Reduced:	BrOS2N3H12C15 (1)
Stoich.:	ABC2D3E12F15 (1)
Weight, g/mol:	420.219512
ΔH_f, kcal/mol:	63.26
Dipole, Da:	2.22
IP(EA), eV:	-8.86(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-amino-1-(2-methylpropyl)-2,4-dioxo-1,3-diazinan-5-yl]-N-(2-methylpropyl)-3-phenylsulfanylpropanamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3=C(S2)N=CN(C3=O)N=CC4=CC(=CS4)Br

DOS

IR

Vibrations