Geometry & MOs

Info

ID:

189952

PubChem CID:

77931499

Reduced:

ClN2O6C25H27 (1)

Stoich.:

AB2C6D25E27 (1)

Weight, g/mol:

547.089259

ΔHf, kcal/mol:

-188.37

Dipole, Da:

2.89

IP(EA), eV:

 -9.14(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[5-chloro-3-fluoro-2-(5-methylthiophen-2-yl)phenyl]-3-fluoropyridin-2-yl]ethyl]-3-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]urea

Drug info:

PubChemData

Smile

CCOC1=NN=C(C=C1)C2=CC=C(C=C2)CC3=C(C=CC(=C3)C4C(C(C(C(O4)CO)O)O)O)Cl

DOS

IR

Vibrations