Geometry & MOs

Info

ID:	184719
PubChem CID:	77197594
Reduced:	OF2N3C21H21 (1)
Stoich.:	AB2C3D21E21 (1)
Weight, g/mol:	464.143964
ΔH_f, kcal/mol:	-64.09
Dipole, Da:	4.19
IP(EA), eV:	-8.64(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[4-[3-hydroxy-3-(1-pent-2-ynylcyclobutyl)prop-1-enyl]-5-methyl-2-oxo-1,3-oxazolidin-3-yl]ethylsulfanyl]-1,3-thiazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1C(NN2C1NC(=CC2=O)CCC3=C(C(=CC=C3)F)F)CC4=CC=CC=C4

DOS

IR

Vibrations