Geometry & MOs

Info

ID:	189698
PubChem CID:	77891062
Reduced:	O2Cl3N4C25H37 (1)
Stoich.:	A2B3C4D25E37 (1)
Weight, g/mol:	547.08889
ΔH_f, kcal/mol:	-157.9
Dipole, Da:	3.82
IP(EA), eV:	-9.18(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-N-[3-[1-hydroxy-2-[2-[(3-methyl-2H-indazol-6-yl)oxy]ethylamino]ethyl]phenyl]-2H-pyridine-3-sulfonamide

Drug info:

PubChemData

Smile

C1CC2C(CCNC2=O)CC1OCCCNCC3=CC(=NC=C3)CCC4=CN=CC=C4.Cl.Cl.Cl

DOS

IR

Vibrations