Geometry & MOs

Info

ID:	224069
PubChem CID:	85337774
Reduced:	SN3O5H29C30 (1)
Stoich.:	AB3C5D29E30 (1)
Weight, g/mol:	545.218213
ΔH_f, kcal/mol:	-75.57
Dipole, Da:	8.0
IP(EA), eV:	-9.19(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-[3-fluoro-4-[1-oxo-1-(3-phenylpropylimino)thian-4-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]butanethioamide

Drug info:

PubChemData

Smile

CON=C1CC(N(C1)S(=O)(=O)C2=CC=C(C=C2)C3=CC=CC=C3)C(=O)NCC(C4=CC5=CC=CC=C5C=C4)O

DOS

IR

Vibrations