Geometry & MOs

Info

ID:	331362
PubChem CID:	127248769
Reduced:	O3N6C17H22 (1)
Stoich.:	A3B6C17D22 (1)
Weight, g/mol:	409.158389
ΔH_f, kcal/mol:	-36.96
Dipole, Da:	4.42
IP(EA), eV:	-8.82(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=NC=C(C(=N1)C2CN(CCO2)C(=O)COC)C3=CN=CN=C3

DOS

IR

Vibrations