Geometry & MOs

Info

ID:	49620
PubChem CID:	11533390
Reduced:	OSN3F4H21C26 (1)
Stoich.:	ABC3D4E21F26 (1)
Weight, g/mol:	499.177707
ΔH_f, kcal/mol:	-127.5
Dipole, Da:	6.87
IP(EA), eV:	-8.66(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[4-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methoxy]phenyl]methyl-pyrrolidin-1-ylsulfonylamino]acetic acid

Drug info:

PubChemData

Smile

CN1CCC(CC1)C2=NC(=C(S2)C3=C(C=C(C=C3)F)F)C4=CN(C(=O)C=C4)C5=C(C=CC=C5F)F

DOS

IR

Vibrations