Geometry & MOs

Info

ID:

417878

PubChem CID:

135102949

Reduced:

N6O7C39H44 (1)

Stoich.:

A6B7C39D44 (1)

Weight, g/mol:

333.081698

ΔHf, kcal/mol:

-217.33

Dipole, Da:

7.78

IP(EA), eV:

 -8.68(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(3S,4S)-4-(dimethylsulfamoylmethyl)oxolan-3-yl]-2-methyl-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1C(=O)N[C@@H](CN(CC(=O)N[C@@H](C(=O)N2C[C@@H](C[C@H]2C(=O)N1)O)CC3=CNC4=CC=CC=C43)C(=O)C5=CC(=C(C(=C5)C)OC)C)C6=CC=CC=C6

DOS

IR

Vibrations