Geometry & MOs

Info

ID:	132482
PubChem CID:	51368400
Reduced:	SCl2O2N4H12C19 (1)
Stoich.:	AB2C2D4E12F19 (1)
Weight, g/mol:	325.061804
ΔH_f, kcal/mol:	70.69
Dipole, Da:	6.1
IP(EA), eV:	-8.83(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-(4-chlorophenyl)-1-methylpyrrol-2-yl]-5-(furan-2-yl)-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=C(C=CO1)C2=NN=C3N2N=C(S3)C4=C(OC(=C4)C5=C(C=C(C=C5)Cl)Cl)C

DOS

IR

Vibrations