Geometry & MOs

Info

ID:	78596
PubChem CID:	49699432
Reduced:	ClFN2O4C19H20 (1)
Stoich.:	ABC2D4E19F20 (1)
Weight, g/mol:	461.09916
ΔH_f, kcal/mol:	-163.75
Dipole, Da:	2.44
IP(EA), eV:	-9.61(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[5-[4-(4-fluorobenzoyl)piperazin-1-yl]-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide

Drug info:

PubChemData

Smile

C1COCCC1(CNC(=O)C(=O)NCC2=CC=CO2)C3=C(C=CC=C3Cl)F

DOS

IR

Vibrations