Geometry & MOs

Info

ID:	435104
PubChem CID:	135180610
Reduced:	Cl2N2O3H14C15 (1)
Stoich.:	A2B2C3D14E15 (1)
Weight, g/mol:	533.123274
ΔH_f, kcal/mol:	-35.99
Dipole, Da:	3.75
IP(EA), eV:	-8.66(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1Cl)C2=CC(=C)C(=N)C(=N2)OC)Cl)OC

DOS

IR

Vibrations