Geometry & MOs

Info

ID:	232995
PubChem CID:	87577908
Reduced:	SN2O5H18C21 (1)
Stoich.:	AB2C5D18E21 (1)
Weight, g/mol:	552.059185
ΔH_f, kcal/mol:	-137.64
Dipole, Da:	4.78
IP(EA), eV:	-9.21(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[2-[[2-(4-chloro-2-fluorophenoxy)-2-(4-cyclopropylsulfonylphenyl)acetyl]amino]-1,3-thiazol-4-yl]acetate

Drug info:

PubChemData

Smile

CN1CC(OC1=O)CC2=CC=C(C=C2)OC3=CC=C(C=C3)/C=C/4\C(=O)NC(=O)S4

DOS

IR

Vibrations