Geometry & MOs

Info

ID:	431239
PubChem CID:	135171310
Reduced:	N2O2C15H18 (1)
Stoich.:	A2B2C15D18 (1)
Weight, g/mol:	464.199445
ΔH_f, kcal/mol:	-52.31
Dipole, Da:	3.4
IP(EA), eV:	-8.28(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-4-[[(1R,3R)-3-hydroxycyclopentyl]amino]-5-[5-(4-methylpiperazin-1-yl)-1,3-dihydrobenzimidazol-2-ylidene]thieno[2,3-b]pyridin-6-one

Drug info:

PubChemData

Smile

CN1C=CC2=C(C1=O)C=C(C=C2)OC3CCNCC3

DOS

IR

Vibrations