Geometry & MOs

Info

ID:	230587
PubChem CID:	87571437
Reduced:	ClO3N5H14C15 (1)
Stoich.:	AB3C5D14E15 (1)
Weight, g/mol:	564.120035
ΔH_f, kcal/mol:	-12.65
Dipole, Da:	9.22
IP(EA), eV:	-7.86(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[2-[[2-(2-cyclopentylsulfonylphenyl)-2-(2,4-difluorophenoxy)acetyl]amino]-1,3-thiazol-4-yl]acetate

Drug info:

PubChemData

Smile

CCOC1=NC(=NC2=C1N/C(=C\3/C=C(C(=O)C(=C3)Cl)OC)/C=N2)N

DOS

IR

Vibrations