Geometry & MOs

Info

ID:	276883
PubChem CID:	103825554
Reduced:	BrON5H12C14 (1)
Stoich.:	ABC5D12E14 (1)
Weight, g/mol:	395.96407
ΔH_f, kcal/mol:	90.85
Dipole, Da:	7.07
IP(EA), eV:	-9.29(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-iodo-4-nitrophenyl)-1,1-dioxothian-3-amine

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NCC2=C(C=CC(=C2)Br)O)N3C=NN=N3

DOS

IR

Vibrations