Geometry & MOs

Info

ID:	219388
PubChem CID:	85148348
Reduced:	SN4O4C25H26 (1)
Stoich.:	AB4C4D25E26 (1)
Weight, g/mol:	478.125709
ΔH_f, kcal/mol:	-92.63
Dipole, Da:	9.09
IP(EA), eV:	-8.75(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-[3-fluoro-4-[4-(5-methyl-1,3,4-oxadiazole-2-carbothioyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=CN=C2C=C1)C3CN(C(=O)O3)CCCNCC4=CC5=C(C=C4)SCC(=O)N5

DOS

IR

Vibrations