Geometry & MOs

Info

ID:	448928
PubChem CID:	135294550
Reduced:	ClOSN6C19H25 (1)
Stoich.:	ABCD6E19F25 (1)
Weight, g/mol:	481.206008
ΔH_f, kcal/mol:	4.93
Dipole, Da:	4.33
IP(EA), eV:	-8.64(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[2-[[(E)-1-amino-3-methyliminoprop-1-en-2-yl]amino]-5-fluoropyrimidin-4-yl]-2-methylphenyl]methyl]-2-tert-butyl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

COC1CCC2(C1)CCN(CC2)C3=CN=C(C(=N3)N)SC4=C(C(=NC=C4)N)Cl

DOS

IR

Vibrations