Geometry & MOs

Info

ID:

421194

PubChem CID:

135115534

Reduced:

S3O6N8C36H42 (1)

Stoich.:

A3B6C8D36E42 (1)

Weight, g/mol:

402.208947

ΔHf, kcal/mol:

-144.81

Dipole, Da:

8.18

IP(EA), eV:

 -9.39(-1.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2S,4R)-N-[(2,3-dimethylimidazo[2,1-b][1,3]thiazol-6-yl)methyl]-2-ethyl-7-(2-methylpropanoyl)-7-azabicyclo[2.2.1]heptane-2-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C(=O)N(CCN(CC(=O)N[C@H](C2=NC(=CS2)C(=O)N1)CC3=CC=CC=C3)C(=O)C4=CSC(=N4)C5=CC=CS5)C)C)C(C)C

DOS

IR

Vibrations