Geometry & MOs

Info

ID:	267603
PubChem CID:	103582953
Reduced:	ClBr2N3H8C10 (1)
Stoich.:	AB2C3D8E10 (1)
Weight, g/mol:	382.92432
ΔH_f, kcal/mol:	68.91
Dipole, Da:	1.32
IP(EA), eV:	-9.11(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-(5-bromo-3-chloropyridin-2-yl)sulfanyltetrazol-1-yl]phenol

Drug info:

PubChemData

Smile

CC1=C(C(=NN1C2=C(C=C(C=N2)Br)Cl)C)Br

DOS

IR

Vibrations