Geometry & MOs

Info

ID:	40118
PubChem CID:	8143593
Reduced:	SN5C22H27 (1)
Stoich.:	AB5C22D27 (1)
Weight, g/mol:	251.072848
ΔH_f, kcal/mol:	87.42
Dipole, Da:	1.87
IP(EA), eV:	-8.25(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(furan-2-yl)-3-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazole-2-thione

Drug info:

PubChemData

Smile

CCC1=C(C(=CC=C1)CC)N2C(=NN(C2=S)CN3CCCC3)C4=CN=CC=C4

DOS

IR

Vibrations