Geometry & MOs

Info

ID:	233223
PubChem CID:	89449361
Reduced:	SO2N4C33H34 (1)
Stoich.:	AB2C4D33E34 (1)
Weight, g/mol:	550.240248
ΔH_f, kcal/mol:	40.76
Dipole, Da:	4.92
IP(EA), eV:	-8.37(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(4-methoxyphenyl)methoxy]phenyl]-2-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]thieno[3,2-b]pyridin-7-amine

Drug info:

PubChemData

Smile

CN1CCN(CC1)CC2=CC=C(C=C2)C3=CC4=NC=CC(=C4S3)NC5=CC(=CC=C5)OCC6=CC=C(C=C6)OC

DOS

IR

Vibrations