Geometry & MOs

Info

ID:

444369

PubChem CID:

135262206

Reduced:

ON7H19C24 (1)

Stoich.:

AB7C19D24 (1)

Weight, g/mol:

545.130668

ΔHf, kcal/mol:

130.26

Dipole, Da:

4.78

IP(EA), eV:

 -8.84(-1.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(8S)-8-(chloromethyl)-4-hydroxy-1-methyl-7,8-dihydrothieno[3,2-e]indol-6-yl]-[5-(2-pyrrolidin-1-ylethoxy)-1H-indol-2-yl]methanone;hydrochloride

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)C2=NN3C=C(C=C3C(=N2)NC4=CC=NC=C4)C(=O)NC5=CC=CC=C5

DOS

IR

Vibrations