Geometry & MOs

Info

ID:

49537

PubChem CID:

11533200

Reduced:

OSN4C29H34 (1)

Stoich.:

ABC4D29E34 (1)

Weight, g/mol:

486.256566

ΔHf, kcal/mol:

17.11

Dipole, Da:

2.69

IP(EA), eV:

 -8.81(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(8S)-N-methyl-N-[[1-[[(3S)-1-(1,3-thiazol-2-ylmethyl)piperidin-3-yl]methyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine

Drug info:

PubChemData

Smile

C1C2CC3CC1CC(C2)(C3)C4=CC=C(N4CC(=O)NC(=NCCC5=CC=CS5)N)C6=CC=CC=C6

DOS

IR

Vibrations