Geometry & MOs

Info

ID:	156589
PubChem CID:	56371258
Reduced:	ClSN5O5C21H22 (1)
Stoich.:	ABC5D5E21F22 (1)
Weight, g/mol:	465.114061
ΔH_f, kcal/mol:	-111.16
Dipole, Da:	7.56
IP(EA), eV:	-9.43(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phenyl-5-[3-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfonyl]propyl]tetrazole

Drug info:

PubChemData

Smile

C1CCCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)NC(=O)COC(=O)C3=CN4C=NN=C4C=C3

DOS

IR

Vibrations