Geometry & MOs

Info

ID:	68872
PubChem CID:	46510669
Reduced:	N2S2O5H20C22 (1)
Stoich.:	A2B2C5D20E22 (1)
Weight, g/mol:	430.082113
ΔH_f, kcal/mol:	-121.64
Dipole, Da:	4.47
IP(EA), eV:	-8.3(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-fluoro-4-methylanilino)-2-oxoethyl] 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CSC2=CC=C(C=C2)C(=O)OCC(=O)NC3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations