Geometry & MOs

Info

ID:	77855
PubChem CID:	49661790
Reduced:	SO3N4C23H30 (1)
Stoich.:	AB3C4D23E30 (1)
Weight, g/mol:	372.078932
ΔH_f, kcal/mol:	-91.82
Dipole, Da:	5.93
IP(EA), eV:	-8.62(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-2-fluorophenyl)-2-(2-methyl-6-oxo-4-pyridin-2-ylpyrimidin-1-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)C2CCN(CC2)C3=C(C=CC=N3)S(=O)(=O)N4CCCCC4

DOS

IR

Vibrations