Geometry & MOs

Info

ID:	331366
PubChem CID:	127248773
Reduced:	FSO3N5C20H28 (1)
Stoich.:	ABC3D5E20F28 (1)
Weight, g/mol:	423.263425
ΔH_f, kcal/mol:	-111.83
Dipole, Da:	5.81
IP(EA), eV:	-8.82(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[4-(cyclohexylmethyl)morpholin-2-yl]-2-(dimethylamino)pyrimidin-5-yl]benzamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)N1CCOC(C1)C2=NC(=NC=C2C3=CC(=CC=C3)F)N(C)C

DOS

IR

Vibrations