Geometry & MOs

Info

ID:	192292
PubChem CID:	78253672
Reduced:	BrSN3O3H20C21 (1)
Stoich.:	ABC3D3E20F21 (1)
Weight, g/mol:	374.219215
ΔH_f, kcal/mol:	-68.18
Dipole, Da:	6.64
IP(EA), eV:	-9.0(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

diethyl-[2-[2-[1-[1-(2-methylphenyl)-2,4,6-trioxo-1,3-diazinan-5-yl]ethenyl]hydrazinyl]ethyl]azanium

Drug info:

PubChemData

Smile

CC(=O)N1CCC2=CC=CC=C2C1C3C(N(C(=S)NC3=O)C4=CC=C(C=C4)Br)O

DOS

IR

Vibrations