Geometry & MOs

Info

ID:	432502
PubChem CID:	135172635
Reduced:	O2N6C21H26 (1)
Stoich.:	A2B6C21D26 (1)
Weight, g/mol:	395.206973
ΔH_f, kcal/mol:	-13.01
Dipole, Da:	3.63
IP(EA), eV:	-8.2(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-3-[2-[[(1S)-1-[4-(methylamino)phenyl]ethyl]amino]-7H-purin-6-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=C3

DOS

IR

Vibrations