Geometry & MOs

Info

ID:	427003
PubChem CID:	135154978
Reduced:	N4O5C14H14 (1)
Stoich.:	A4B5C14D14 (1)
Weight, g/mol:	480.230745
ΔH_f, kcal/mol:	-58.59
Dipole, Da:	3.78
IP(EA), eV:	-9.63(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-3-[2-[2-[4-(piperidin-4-ylamino)phenyl]ethylamino]thieno[3,2-d]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)[N+](=O)[O-])N2C3=C(CN(CC3)C(=O)O)C=N2

DOS

IR

Vibrations