Geometry & MOs

Info

ID:	435095
PubChem CID:	135180278
Reduced:	ClSO2F3N3H17C19 (1)
Stoich.:	ABC2D3E3F17G19 (1)
Weight, g/mol:	529.103208
ΔH_f, kcal/mol:	-167.29
Dipole, Da:	3.19
IP(EA), eV:	-8.86(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[6-(2,6-dichloro-3,5-dimethoxyphenyl)-8-methoxypyrido[3,4-d]pyrimidin-2-yl]amino]-1-methylpyrazol-4-yl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1OC)OC)Cl)C2=NC(=C3C(=C2)C=NC(=N3)SC)CC(F)(F)F

DOS

IR

Vibrations