Geometry & MOs

Info

ID:	225728
PubChem CID:	87225401
Reduced:	SO4N6H28C30 (1)
Stoich.:	AB4C6D28E30 (1)
Weight, g/mol:	393.06612
ΔH_f, kcal/mol:	-47.17
Dipole, Da:	7.07
IP(EA), eV:	-8.11(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-bromoimidazo[1,2-b]pyridazin-2-yl)-3-[2-(2-propan-2-yltetrazol-5-yl)ethyl]urea

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCCC(=O)NS(=O)(=O)C2=C/C(=C/3\NC4=C(N3)C=C(C=C4)C(=N)N)/C(=O)C(=C2)C5=CC(=CC=C5)N

DOS

IR

Vibrations