Geometry & MOs

Info

ID:	435133
PubChem CID:	135181436
Reduced:	OSN5C16H19 (1)
Stoich.:	ABC5D16E19 (1)
Weight, g/mol:	556.224574
ΔH_f, kcal/mol:	65.32
Dipole, Da:	12.09
IP(EA), eV:	-8.62(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S,4S)-3-[[6-(2,6-difluoro-3,5-dimethoxyphenyl)-8-morpholin-4-ylpyrido[3,4-d]pyrimidin-2-yl]amino]oxan-4-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CN1CCCSC1=N/C(=C(\C=O)/C#N)/C2=CN=C(C=C2)N(C)C

DOS

IR

Vibrations