Geometry & MOs

Info

ID:	229874
PubChem CID:	87569421
Reduced:	SO5C7H14 (1)
Stoich.:	AB5C7D14 (1)
Weight, g/mol:	318.068367
ΔH_f, kcal/mol:	-180.78
Dipole, Da:	6.32
IP(EA), eV:	-9.76(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chloro-5-fluoropyrimidin-4-yl)-5-morpholin-4-ylbenzonitrile

Drug info:

PubChemData

Smile

COCC(OC)(OC)S(=O)(=O)C=C

DOS

IR

Vibrations