Geometry & MOs

Info

ID:	432545
PubChem CID:	135172678
Reduced:	NC20H25 (1)
Stoich.:	AB20C25 (1)
Weight, g/mol:	481.243753
ΔH_f, kcal/mol:	32.13
Dipole, Da:	1.2
IP(EA), eV:	-8.98(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-propan-2-yl-3-[2-[[(1S)-1-[2-(1-prop-2-enoylpiperidin-4-yl)oxypyrimidin-5-yl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(=C)C2=CC=C(C=C2)C(CC)CN

DOS

IR

Vibrations