Geometry & MOs

Info

ID:

181485

PubChem CID:

76749966

Reduced:

N7O7C42H65 (1)

Stoich.:

A7B7C42D65 (1)

Weight, g/mol:

378.050813

ΔHf, kcal/mol:

-321.69

Dipole, Da:

2.79

IP(EA), eV:

 -9.39(0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

S-ethyl 2-[6-[(6-fluoropyridin-3-yl)-hydroxymethylidene]-7-oxo-4,5-dihydro-1,3-benzothiazol-2-yl]ethanethioate

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)CC(CCCN)C(=O)NCCCCC(C(=O)O)NC(=O)C(CCCN)N)NC(=O)C(CC1=CC=CC=C1)CC(=O)C(CC2=CC=CC=C2)N

DOS

IR

Vibrations