Geometry & MOs

Info

ID:	226506
PubChem CID:	87457685
Reduced:	O2C5H10 (3)
Stoich.:	A2B5C10 (3)
Weight, g/mol:	532.075915
ΔH_f, kcal/mol:	-297.52
Dipole, Da:	6.23
IP(EA), eV:	-9.81(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[5-(5-chloro-3-fluoro-2-thiophen-2-ylphenyl)-3-fluoropyridin-2-yl]ethyl]-1-ethyl-3-[(2,2,2-trifluoroacetyl)amino]urea

Drug info:

PubChemData

Smile

CC(C)COCC(C)OCC(C)OCC(C)OCC(=O)O

DOS

IR

Vibrations