Geometry & MOs

Info

ID:	69071
PubChem CID:	46517502
Reduced:	SN2O2F4H16C17 (1)
Stoich.:	AB2C2D4E16F17 (1)
Weight, g/mol:	477.021991
ΔH_f, kcal/mol:	-242.28
Dipole, Da:	1.79
IP(EA), eV:	-9.01(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(2-chloro-5-nitroanilino)-1-oxopropan-2-yl] 2-(1,3-thiazol-4-ylmethylsulfanyl)benzoate

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C=C1)OC)F)NC(=O)C2=C(N=CC=C2)SCC(F)(F)F

DOS

IR

Vibrations