Geometry & MOs

Info

ID:	29429
PubChem CID:	833719
Reduced:	O4N5H11C15 (1)
Stoich.:	A4B5C11D15 (1)
Weight, g/mol:	336.000323
ΔH_f, kcal/mol:	60.19
Dipole, Da:	5.01
IP(EA), eV:	-8.99(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chlorophenyl)-5-[(2-chlorophenyl)methylsulfanyl]tetrazole

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)C3=NN(N=N3)CC4=CC=C(C=C4)[N+](=O)[O-]

DOS

IR

Vibrations