Geometry & MOs

Info

ID:	322105
PubChem CID:	126668648
Reduced:	SO2N3C19H21 (1)
Stoich.:	AB2C3D19E21 (1)
Weight, g/mol:	518.113917
ΔH_f, kcal/mol:	-48.65
Dipole, Da:	5.84
IP(EA), eV:	-9.23(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[5-[3-chloro-1-(4-methylphenyl)sulfonylpyrrol-2-yl]-2-(2H-tetrazol-5-yl)furan-3-yl]oxyethyl]morpholine

Drug info:

PubChemData

Smile

C1CC(CCC1C2=CC=CC=C2)NC(=O)C3=CN=C4N(C3=O)CCS4

DOS

IR

Vibrations