Geometry & MOs

Info

ID:	140475
PubChem CID:	52704804
Reduced:	ClO3N4C23H29 (1)
Stoich.:	AB3C4D23E29 (1)
Weight, g/mol:	440.179459
ΔH_f, kcal/mol:	-111.75
Dipole, Da:	5.7
IP(EA), eV:	-8.97(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-tert-butyl-2-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperazin-1-yl]methyl]-1,3-oxazole

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)CNC2=CC(=C(C=C2)C(=O)NCC(C)C)Cl

DOS

IR

Vibrations