Geometry & MOs

Info

ID:	322050
PubChem CID:	126668418
Reduced:	PSN2O3C13H21 (1)
Stoich.:	ABC2D3E13F21 (1)
Weight, g/mol:	441.147075
ΔH_f, kcal/mol:	-95.17
Dipole, Da:	5.08
IP(EA), eV:	-8.25(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-methoxy-5-[1-(4-methylphenyl)sulfonyl-3-(2-methylpropyl)pyrrol-2-yl]furan-2-yl]-2H-tetrazole

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C2CC3CC1C([C@H]2OS#P)NC3

DOS

IR

Vibrations