Geometry & MOs

Info

ID:

302323

PubChem CID:

124361236

Reduced:

ClN3O3C25H30 (1)

Stoich.:

AB3C3D25E30 (1)

Weight, g/mol:

453.172228

ΔHf, kcal/mol:

-113.94

Dipole, Da:

3.14

IP(EA), eV:

 -8.56(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,9bS)-N-[(1R)-2-[[(2R)-1-hydroxypropan-2-yl]amino]-2-oxo-1-phenylethyl]-2,2-dimethyl-5-oxo-3,9b-dihydro-[1,3]thiazolo[2,3-a]isoindole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C2C(=C1)[C@@]3([C@@H](C[C@H](N3)CC(C)C)C(=O)NC4=C(C=CC(=C4)Cl)OC)C(=O)N2)C

DOS

IR

Vibrations