Geometry & MOs

Info

ID:

419336

PubChem CID:

135107994

Reduced:

O7N8C42H54 (1)

Stoich.:

A7B8C42D54 (1)

Weight, g/mol:

385.058855

ΔHf, kcal/mol:

-252.15

Dipole, Da:

6.46

IP(EA), eV:

 -8.43(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-2-(thiophen-2-ylsulfonylamino)acetamide

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](CN(CC(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)OC)CC(C)C)CC3=CNC4=CC=CC=C43)C(=O)C5=CC=CN5)C(C)C

DOS

IR

Vibrations