Geometry & MOs

Info

ID:	62628
PubChem CID:	26727035
Reduced:	SCl2N3O5C20H21 (1)
Stoich.:	AB2C3D5E20F21 (1)
Weight, g/mol:	436.068681
ΔH_f, kcal/mol:	-177.64
Dipole, Da:	5.28
IP(EA), eV:	-8.85(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chloro-2-nitrophenoxy)-N-[4-(tetrazol-1-yl)phenyl]benzamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)OC(=O)C3=C(C(=CC(=C3)Cl)Cl)N

DOS

IR

Vibrations