Geometry & MOs

Info

ID:	427068
PubChem CID:	135155300
Reduced:	ClNOF3H7C8 (1)
Stoich.:	ABCD3E7F8 (1)
Weight, g/mol:	519.168873
ΔH_f, kcal/mol:	-188.93
Dipole, Da:	1.97
IP(EA), eV:	-10.41(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-3-[2-[2-[4-[(5-nitropyridin-2-yl)amino]phenyl]ethylamino]thieno[3,2-d]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

C1=C(C=NC(=C1CCO)Cl)C(F)(F)F

DOS

IR

Vibrations