Geometry & MOs

Info

ID:	185433
PubChem CID:	77300043
Reduced:	ClF2N3O4H18C23 (1)
Stoich.:	AB2C3D4E18F23 (1)
Weight, g/mol:	499.233188
ΔH_f, kcal/mol:	-38.31
Dipole, Da:	4.98
IP(EA), eV:	-9.33(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[5-amino-6-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-oxopyridin-3-ylidene]-N,N-diethylpropanamide

Drug info:

PubChemData

Smile

C1CC2C(=C(CC1N2)C3=CN=C(C=C3)OCC4=CC(=NO4)C5=C(C=CC(=C5Cl)F)F)C(=O)O

DOS

IR

Vibrations