Geometry & MOs

Info

ID:	181252
PubChem CID:	76722737
Reduced:	FO3N5C24H24 (1)
Stoich.:	AB3C5D24E24 (1)
Weight, g/mol:	614.211153
ΔH_f, kcal/mol:	-55.5
Dipole, Da:	8.25
IP(EA), eV:	-9.08(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(dimethylamino)-N-[4-[4-[4-(3-fluoropyridin-4-yl)-1-methyl-6-oxopyrimidin-2-yl]morpholin-2-yl]phenyl]naphthalene-1-sulfonamide

Drug info:

PubChemData

Smile

CN1C(=O)C=C(N=C1N2CCOC(C2)C3=CC(=CC=C3)NC(=O)C4CC4)C5=C(C=NC=C5)F

DOS

IR

Vibrations