Geometry & MOs

Info

ID:	445614
PubChem CID:	135268538
Reduced:	F2O3N6H20C24 (1)
Stoich.:	A2B3C6D20E24 (1)
Weight, g/mol:	479.204277
ΔH_f, kcal/mol:	-21.89
Dipole, Da:	2.4
IP(EA), eV:	-8.82(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-[3-[4-fluoro-2-methyl-5-(7-morpholin-4-ylquinazolin-4-yl)phenyl]prop-1-en-2-ylsulfanyl]-3-methylbut-3-en-2-ol

Drug info:

PubChemData

Smile

CN1C(=O)C=CC(=N1)C(C2=C(C=C(C(=C2)C3=NC=NC4=C3C=CC(=C4)N5CCOCC5)F)F)N=O

DOS

IR

Vibrations