Geometry & MOs

Info

ID:	185330
PubChem CID:	77287447
Reduced:	S2N3O3F4H17C18 (1)
Stoich.:	A2B3C3D4E17F18 (1)
Weight, g/mol:	465.139213
ΔH_f, kcal/mol:	-273.24
Dipole, Da:	3.36
IP(EA), eV:	-9.26(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[2-[(2,5-diethoxyanilino)methyl]-5-oxopyrrolidin-1-yl]ethylsulfanyl]-1,3-thiazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(=O)N(C1C(C2=C(C=CC(=C2)C(F)(F)F)F)N)CCSC3=NC(=CS3)C(=O)O

DOS

IR

Vibrations