Geometry & MOs

Info

ID:	426997
PubChem CID:	135154960
Reduced:	OCl2F2H8C9 (1)
Stoich.:	AB2C2D8E9 (1)
Weight, g/mol:	614.267525
ΔH_f, kcal/mol:	-152.59
Dipole, Da:	3.44
IP(EA), eV:	-9.65(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 4-[[4-[2-[[4-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]thieno[3,2-d]pyrimidin-2-yl]amino]ethyl]phenyl]methyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)CCCl)OC(F)F

DOS

IR

Vibrations