Geometry & MOs

Info

ID:	358856
PubChem CID:	127296727
Reduced:	N3O3C20H27 (1)
Stoich.:	A3B3C20D27 (1)
Weight, g/mol:	389.16856
ΔH_f, kcal/mol:	-100.58
Dipole, Da:	5.06
IP(EA), eV:	-8.36(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyclopentyl-N-[5-[(2-fluorophenyl)methyl]-1,3,4-thiadiazol-2-yl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CCCOC1CCCN(CC1)C(=O)NC2=CC3=C(C=C2)N=C(C=C3)OC

DOS

IR

Vibrations