Geometry & MOs

Info

ID:	156741
PubChem CID:	56374038
Reduced:	FSN4O5C20H25 (1)
Stoich.:	ABC4D5E20F25 (1)
Weight, g/mol:	407.19574
ΔH_f, kcal/mol:	-122.56
Dipole, Da:	6.92
IP(EA), eV:	-8.86(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]ethyl]-3-(2-pyrrolidin-1-ylpyridin-3-yl)urea

Drug info:

PubChemData

Smile

CC(C1=C(C=CC(=C1)F)N2CCN(CC2)C)NS(=O)(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

DOS

IR

Vibrations