Geometry & MOs

Info

ID:	49349
PubChem CID:	11532896
Reduced:	FN4O5C24H27 (1)
Stoich.:	AB4C5D24E27 (1)
Weight, g/mol:	470.133651
ΔH_f, kcal/mol:	-152.11
Dipole, Da:	14.71
IP(EA), eV:	-8.63(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,6-difluorophenyl)-3-[(3E)-3-[5-(morpholin-4-ylmethyl)benzimidazol-2-ylidene]-1,2-thiazol-4-yl]urea

Drug info:

PubChemData

Smile

CN(C)C(C1CCN(C1)C2=C(C=C3C(=C2OC)N(C=C(C3=O)C(=O)O)C4CC4)F)C5=NC=CO5

DOS

IR

Vibrations