Geometry & MOs

Info

ID:	144370
PubChem CID:	53357270
Reduced:	Cl2O2N4C19H24 (1)
Stoich.:	A2B2C4D19E24 (1)
Weight, g/mol:	512.137509
ΔH_f, kcal/mol:	-56.97
Dipole, Da:	4.75
IP(EA), eV:	-9.02(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-[4-amino-6-[3-chloro-4-(2-fluorophenoxy)anilino]pyrimidin-5-yl]-1,3-oxazol-4-yl]methyl]-3-methoxypropanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=N1)Cl)C(=O)NC2CCC(CC2)CN3C(=C(C(=N3)C)Cl)OC

DOS

IR

Vibrations