Geometry & MOs

Info

ID:	306402
PubChem CID:	125011593
Reduced:	SO2N6C15H22 (1)
Stoich.:	AB2C6D15E22 (1)
Weight, g/mol:	353.191483
ΔH_f, kcal/mol:	0.13
Dipole, Da:	6.42
IP(EA), eV:	-9.18(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,4-difluorocyclohexyl)-[(2S)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CCN1C(=CC=N1)C2=CN=CC(=N2)[C@@H]3CCCN3S(=O)(=O)N(C)C

DOS

IR

Vibrations