Geometry & MOs

Info

ID:	432503
PubChem CID:	135172636
Reduced:	O2N7C20H25 (1)
Stoich.:	A2B7C20D25 (1)
Weight, g/mol:	410.177647
ΔH_f, kcal/mol:	2.63
Dipole, Da:	4.68
IP(EA), eV:	-8.37(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)NC)NC2=NC3=C(C(=N2)N4[C@H](COC4=O)C(C)C)NC=N3

DOS

IR

Vibrations