Geometry & MOs

Info

ID:	331365
PubChem CID:	127248772
Reduced:	FSO3N5C20H28 (1)
Stoich.:	ABC3D5E20F28 (1)
Weight, g/mol:	437.189689
ΔH_f, kcal/mol:	-109.8
Dipole, Da:	4.45
IP(EA), eV:	-8.79(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(dimethylamino)-5-(3-fluorophenyl)pyrimidin-4-yl]-N,N-diethylmorpholine-4-sulfonamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations