Geometry & MOs

Info

ID:

159628

PubChem CID:

57288553

Reduced:

SN3O6C25H29 (1)

Stoich.:

AB3C6D25E29 (1)

Weight, g/mol:

490.196

ΔHf, kcal/mol:

-145.35

Dipole, Da:

9.06

IP(EA), eV:

 -9.25(-1.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[2-(2-amino-1,3-thiazol-5-yl)ethyl]-3-[2-tert-butyl-4-(hydroxymethyl)-5-methylphenyl]sulfanyl-6-propan-2-yloxane-2,4-dione

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C(=O)[C@@H]2CCCN2C(=O)OCC3=CC=CC=C3)C(CSC4=CC=C(C=C4)[N+](=O)[O-])O

DOS

IR

Vibrations