Geometry & MOs

Info

ID:	148590
PubChem CID:	53788258
Reduced:	NO3C21H29 (2)
Stoich.:	AB3C21D29 (2)
Weight, g/mol:	182.026232
ΔH_f, kcal/mol:	-234.99
Dipole, Da:	7.84
IP(EA), eV:	-9.65(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-methylsulfanylfuran-3-yl)-2H-tetrazole

Drug info:

PubChemData

Smile

C1CCC2C(C1)C(C3C(C2=O)CC(C4C3NC5C4C6C7CCC8CC9CC(=O)CCC9CC8C7NC6C1C5C(=O)C2CCCCC2C1=O)O)O

DOS

IR

Vibrations