Geometry & MOs

Info

ID:	180424
PubChem CID:	76630496
Reduced:	FS2N3O6C21H24 (1)
Stoich.:	AB2C3D6E21F24 (1)
Weight, g/mol:	546.087906
ΔH_f, kcal/mol:	-192.53
Dipole, Da:	5.7
IP(EA), eV:	-9.39(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-[[2-(4-cyclopropylsulfonylphenyl)-2-(oxolan-3-yloxyimino)acetyl]amino]-[1,3]thiazolo[5,4-b]pyridin-5-yl]oxy]acetic acid

Drug info:

PubChemData

Smile

COC1CCC(C1)ON=C(C2=CC=C(C=C2)S(=O)(=O)C3CCOC3)C(=O)NC4=NC=C(S4)F

DOS

IR

Vibrations