Geometry & MOs

Info

ID:	88639
PubChem CID:	49955842
Reduced:	ClON5C17H17 (1)
Stoich.:	ABC5D17E17 (1)
Weight, g/mol:	485.116263
ΔH_f, kcal/mol:	152.86
Dipole, Da:	6.09
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750022
Charge, e:	-1

Chem-info

IUPAC name:

4-[2-[[3-(1-phenyltetrazol-5-yl)oxyphenyl]methylamino]ethyl]benzenesulfonamide;chloride

Drug info:

PubChemData

Smile

C=CCNCC1=CC(=CC=C1)OC2=NN=NN2C3=CC=CC=C3.[Cl-]

DOS

IR

Vibrations