Geometry & MOs

Info

ID:	427001
PubChem CID:	135154973
Reduced:	O4N6C25H32 (1)
Stoich.:	A4B6C25D32 (1)
Weight, g/mol:	480.230745
ΔH_f, kcal/mol:	-105.98
Dipole, Da:	8.74
IP(EA), eV:	-9.17(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)[C@H]1COC(=O)N1C2=NC(=NC=C2)NC(C)C3=CN=C(C=C3)OC4CCN(CC4)C(=O)C=C

DOS

IR

Vibrations