Geometry & MOs

Info

ID:	231234
PubChem CID:	87573096
Reduced:	SF4N4O4H22C23 (1)
Stoich.:	AB4C4D4E22F23 (1)
Weight, g/mol:	543.113393
ΔH_f, kcal/mol:	-238.17
Dipole, Da:	2.66
IP(EA), eV:	-9.4(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-[[2-(4-cyclopropylsulfonylphenyl)-2-pyrrolidin-3-yloxyacetyl]amino]-1,3-thiazol-5-yl]oxy]benzoic acid

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=C(C=C(C=C1F)CNC(=O)/C=C\C2=C(N=C(C=C2)C(F)(F)F)N3CCOCC3)C#C

DOS

IR

Vibrations