Geometry & MOs

Info

ID:	311327
PubChem CID:	126590503
Reduced:	FSN4O4C32H39 (1)
Stoich.:	ABC4D4E32F39 (1)
Weight, g/mol:	425.120941
ΔH_f, kcal/mol:	-117.47
Dipole, Da:	6.49
IP(EA), eV:	-8.14(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-fluoro-4-[2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-3-oxopropanamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=CC(=C(C=C1)OC2=C3C(=NC=C2)C=C(S3)C4=CC(=C(C=C4)OCCCN(C)C)OCCCN(C)C)F

DOS

IR

Vibrations