Geometry & MOs

Info

ID:

436972

PubChem CID:

135213415

Reduced:

SN6O6C41H66 (1)

Stoich.:

AB6C6D41E66 (1)

Weight, g/mol:

232.016262

ΔHf, kcal/mol:

-281.26

Dipole, Da:

4.99

IP(EA), eV:

 -9.09(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[1-(disulfanyl)ethyl]-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridine

Drug info:

PubChemData

Smile

CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@@H]([C@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C3=NC=CS3)OC)OC)NC(=O)C(C(C)C)NC(=O)[C@H](C(C)C)N(C)C

DOS

IR

Vibrations