Geometry & MOs

Info

ID:	445590
PubChem CID:	135268340
Reduced:	O5C7H12 (1)
Stoich.:	A5B7C12 (1)
Weight, g/mol:	478.183875
ΔH_f, kcal/mol:	-199.41
Dipole, Da:	3.8
IP(EA), eV:	-10.33(0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(6E)-2-ethynyl-6-[(E)-2-morpholin-4-ylhex-2-enylidene]-5H-pyrimidin-4-yl]-4-fluorophenyl]-(1,3-thiazol-2-yl)methanol

Drug info:

PubChemData

Smile

C1C2C1(C(C(C(O2)CO)O)O)O

DOS

IR

Vibrations