Geometry & MOs

Info

ID:	180630
PubChem CID:	76661491
Reduced:	ClFSN3O3H21C27 (1)
Stoich.:	ABCD3E3F21G27 (1)
Weight, g/mol:	387.232205
ΔH_f, kcal/mol:	-25.38
Dipole, Da:	7.83
IP(EA), eV:	-8.65(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-6-[2-fluoro-5-[(5-hydroxy-2-bicyclo[2.2.1]heptanyl)methyl]phenyl]-3,5,5,6-tetramethylpyrimidin-4-one

Drug info:

PubChemData

Smile

CS(=O)(=O)CC(=O)C1=CC2=C(C=C1)C3=NN(C(C3CC2)C4=CC=C(C=C4)F)C5=CC(=C(C=C5)[N+]#[C-])Cl

DOS

IR

Vibrations