Geometry & MOs

Info

ID:	435075
PubChem CID:	135179899
Reduced:	ClN2O2F3C11H14 (1)
Stoich.:	AB2C2D3E11F14 (1)
Weight, g/mol:	512.19836
ΔH_f, kcal/mol:	-234.93
Dipole, Da:	3.18
IP(EA), eV:	-10.02(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3R,4S)-4-[[8-(azetidin-1-yl)-6-(2,6-difluoro-3,5-dimethoxyphenyl)pyrido[3,4-d]pyrimidin-2-yl]amino]oxolan-3-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CN=C(C(C1NCC(F)(F)F)C)Cl

DOS

IR

Vibrations