Geometry & MOs

Info

ID:	69121
PubChem CID:	46519185
Reduced:	S2F3O3N5H16C18 (1)
Stoich.:	A2B3C3D5E16F18 (1)
Weight, g/mol:	440.140593
ΔH_f, kcal/mol:	-169.8
Dipole, Da:	5.24
IP(EA), eV:	-9.36(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[2,5-dimethyl-1-(1,3-thiazol-2-yl)pyrrol-3-yl]-2-oxoethyl] 3-(oxolan-2-ylmethoxy)benzoate

Drug info:

PubChemData

Smile

C1CN(CCN1C(=O)CSC2=NC=CC(=N2)C(F)(F)F)S(=O)(=O)C3=CC=CC=C3C#N

DOS

IR

Vibrations