Geometry & MOs

Info

ID:	179922
PubChem CID:	76556574
Reduced:	S2O3N5H19C25 (1)
Stoich.:	A2B3C5D19E25 (1)
Weight, g/mol:	552.298808
ΔH_f, kcal/mol:	62.59
Dipole, Da:	8.1
IP(EA), eV:	-9.21(-2.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[2-[2-[3-[benzyl(propyl)amino]-4-methylphenyl]-5-methyl-1,3-oxazol-4-yl]ethoxy]-2,3-dihydro-1H-inden-1-yl]propanoic acid

Drug info:

PubChemData

Smile

C1C(N(CC2=CC=CC=C21)C3=CC=C(C=C3)C(=O)NC4=CC(=CC=C4)N5C(=S)N=NC5=S)C(=O)O

DOS

IR

Vibrations