Geometry & MOs

Info

ID:	165260
PubChem CID:	74523352
Reduced:	N3O6C14H17 (1)
Stoich.:	A3B6C14D17 (1)
Weight, g/mol:	471.08351
ΔH_f, kcal/mol:	-160.44
Dipole, Da:	8.08
IP(EA), eV:	-9.53(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-1-cyclopropyl-5-[2-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetyl]-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CC(C(=O)N1CCOCC1)OC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N

DOS

IR

Vibrations