Geometry & MOs

Info

ID:

302231

PubChem CID:

124360819

Reduced:

SN3O4C26H31 (1)

Stoich.:

AB3C4D26E31 (1)

Weight, g/mol:

481.203528

ΔHf, kcal/mol:

-142.03

Dipole, Da:

5.15

IP(EA), eV:

 -8.75(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)NCC1=CC=C(C=C1)OC)NC(=O)[C@H]2C(S[C@@H]3N2C(=O)C4=CC=CC=C34)(C)C

DOS

IR

Vibrations