Geometry & MOs

Info

ID:

302208

PubChem CID:

124360345

Reduced:

N3O5C24H33 (1)

Stoich.:

A3B5C24D33 (1)

Weight, g/mol:

444.219512

ΔHf, kcal/mol:

-213.59

Dipole, Da:

4.96

IP(EA), eV:

 -8.22(0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,9bS)-2,2-dimethyl-N-[(2S)-3-methyl-1-(4-methylpiperazin-1-yl)-1-oxobutan-2-yl]-5-oxo-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)C[C@H](C(=O)N1CCCCC1)NC(=O)[C@@H]2CC(=O)N(C2)C3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations