Geometry & MOs

Info

ID:	445645
PubChem CID:	135268751
Reduced:	F2O2N4C27H28 (1)
Stoich.:	A2B2C4D27E28 (1)
Weight, g/mol:	452.106688
ΔH_f, kcal/mol:	-67.95
Dipole, Da:	3.67
IP(EA), eV:	-8.71(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-fluoro-3-(6-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)phenyl]-nitrosomethyl]-1H-pyrazin-2-one

Drug info:

PubChemData

Smile

CC(=C(C(C1=C(C=C(C(=C1)C2=NC=NC3=C2C=CC(=C3)N4CCOCC4)F)F)O)N=CC(=C)C)C

DOS

IR

Vibrations