Geometry & MOs

Info

ID:	230502
PubChem CID:	87571118
Reduced:	BSO2N3F5C27H47 (1)
Stoich.:	ABC2D3E5F27G47 (1)
Weight, g/mol:	568.008961
ΔH_f, kcal/mol:	-427.47
Dipole, Da:	14.17
IP(EA), eV:	-11.0(-2.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-chloro-2-[[2-(2,4-difluorophenoxy)-2-(4-pyrazol-1-ylsulfonylphenyl)acetyl]amino]-1,3-thiazol-4-yl]acetic acid

Drug info:

PubChemData

Smile

[B-](F)(F)(F)F.CCCCCCCCCCCCCC1=C(C(=CC=C1)[N+]#N)S(=O)(=O)N(CCCCCCCC)F

DOS

IR

Vibrations