Geometry & MOs

Info

ID:	432575
PubChem CID:	135172708
Reduced:	O3N4C23H30 (1)
Stoich.:	A3B4C23D30 (1)
Weight, g/mol:	518.275387
ΔH_f, kcal/mol:	-78.87
Dipole, Da:	7.47
IP(EA), eV:	-8.93(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-propan-2-yl-3-[2-[[(1S)-1-[4-[(4-prop-2-enoylpiperazin-1-yl)methyl]phenyl]ethyl]amino]-7H-purin-6-yl]-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

C1CNCC1OCC(=O)N2CCC(CC2)C(CC3C4=CC=CC=C4C5=CN=CN35)O

DOS

IR

Vibrations