Geometry & MOs

Info

ID:	328778
PubChem CID:	126727704
Reduced:	NC26H35 (1)
Stoich.:	AB26C35 (1)
Weight, g/mol:	509.189689
ΔH_f, kcal/mol:	16.06
Dipole, Da:	2.68
IP(EA), eV:	-8.96(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-N-[3-(6,7-dimethoxyquinazolin-4-yl)sulfanylphenyl]-1-N'-[5-(1-fluoro-2-methylbutan-2-yl)-1,2-oxazol-3-yl]ethene-1,1-diamine

Drug info:

PubChemData

Smile

CCCCCC1=C(C=C(C(=C1)C)C(=NC=C)CC2=CC=CC=C2)CCCC

DOS

IR

Vibrations