Geometry & MOs

Info

ID:	445598
PubChem CID:	135268439
Reduced:	SO5N6C32H36 (1)
Stoich.:	AB5C6D32E36 (1)
Weight, g/mol:	490.156495
ΔH_f, kcal/mol:	-112.87
Dipole, Da:	5.01
IP(EA), eV:	-8.45(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[4-fluoro-5-(5-fluoro-7-morpholin-4-ylquinazolin-4-yl)-2-methoxyphenyl]-5,7-dihydropyrrolo[2,3-b]pyrazin-6-one

Drug info:

PubChemData

Smile

CC1CC=C(C=C1)CC2=NN=C(C3=CC=CC=C32)N4CCN(CC4)C5=NC=C(C=C5)CNC(=O)CSC(CC(=O)O)C(=O)O

DOS

IR

Vibrations