Geometry & MOs

Info

ID:	432667
PubChem CID:	135172803
Reduced:	FSN2C7H9 (1)
Stoich.:	ABC2D7E9 (1)
Weight, g/mol:	517.280138
ΔH_f, kcal/mol:	-9.77
Dipole, Da:	1.65
IP(EA), eV:	-9.27(-1.4)
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]-5H-pyrrolo[3,2-d]pyrimidin-4-yl]-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

CC(C)C1=NC=C(C=N1)SF

DOS

IR

Vibrations