Geometry & MOs

Info

ID:	417639
PubChem CID:	135102350
Reduced:	SO7N8C34H46 (1)
Stoich.:	AB7C8D34E46 (1)
Weight, g/mol:	251.118238
ΔH_f, kcal/mol:	-249.41
Dipole, Da:	13.74
IP(EA), eV:	-8.27(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-N-(3-imidazol-1-ylpropyl)-4-methoxypyrimidin-2-amine

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N(CCN(CC(=O)N[C@H](C2=NC(=CS2)C(=O)N[C@@H](C(=O)N(CC(=O)N1)C)CC3=CNC4=CC=CC=C43)CC(C)C)C(=O)[C@@H](C)O)C

DOS

IR

Vibrations