Geometry & MOs

Info

ID:

431194

PubChem CID:

135171264

Reduced:

ClO3N5C35H38 (1)

Stoich.:

AB3C5D35E38 (1)

Weight, g/mol:

464.199445

ΔHf, kcal/mol:

-49.45

Dipole, Da:

7.64

IP(EA), eV:

 -8.45(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5Z)-4-[[(1R,3S)-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

CC1=CC(=NC=C1CN2CCCCC2)C(=O)NC3=CC=CC(=C3C)C4=C(C(=CC=C4)NC(=O)C5=NC=C(C=C5)C(C)OC)Cl

DOS

IR

Vibrations