Geometry & MOs

Info

ID:	230588
PubChem CID:	87571438
Reduced:	FNSO3C13H13 (2)
Stoich.:	ABCD3E13F13 (2)
Weight, g/mol:	516.073754
ΔH_f, kcal/mol:	-267.5
Dipole, Da:	5.12
IP(EA), eV:	-9.4(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-cyclopropylsulfonylphenyl)-2-(2,4-difluorophenoxy)-N-(5-pyrazol-1-yl-1,3-thiazol-2-yl)acetamide

Drug info:

PubChemData

Smile

CCOC(=O)CC1=CSC(=N1)NC(=O)C(C2=CC=CC=C2S(=O)(=O)C3CCCC3)OC4=C(C=C(C=C4)F)F

DOS

IR

Vibrations