Geometry & MOs

Info

ID:	311284
PubChem CID:	126590223
Reduced:	FN2O4C33H39 (1)
Stoich.:	AB2C4D33E39 (1)
Weight, g/mol:	455.167891
ΔH_f, kcal/mol:	-166.63
Dipole, Da:	4.93
IP(EA), eV:	-8.8(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-fluoro-4-[2-[2-methyl-1-[[(Z)-prop-1-enyl]amino]propyl]thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-oxobutanamide

Drug info:

PubChemData

Smile

CCOCC1=NC(=C(C(=C1C2=CC=C(C=C2)OCCC3=CC=C(C=C3)F)N4CCC5(CCC5)CC4)CC(=O)O)C

DOS

IR

Vibrations