Geometry & MOs

Info

ID:

302271

PubChem CID:

124360963

Reduced:

SN3O3C26H31 (1)

Stoich.:

AB3C3D26E31 (1)

Weight, g/mol:

465.208613

ΔHf, kcal/mol:

-102.73

Dipole, Da:

4.17

IP(EA), eV:

 -9.3(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,9bS)-N-[(2S)-1-(benzylamino)-4-methyl-1-oxopentan-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@H](C)[C@@H](C(=O)NCC1=CC=CC=C1)NC(=O)[C@H]2C(S[C@@H]3N2C(=O)C4=CC=CC=C34)(C)C

DOS

IR

Vibrations