Geometry & MOs

Info

ID:

335869

PubChem CID:

127254731

Reduced:

NO5H29C36 (1)

Stoich.:

AB5C29D36 (1)

Weight, g/mol:

464.151826

ΔHf, kcal/mol:

4.62

Dipole, Da:

7.16

IP(EA), eV:

 -8.15(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

10-[3-(1,3-benzothiazole-2-carbonylamino)propyl]-9-methyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene-12-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1[C@H]2[C@@H](N3C(C24C(=O)C5=CC=CC=C5C4=O)C=CC6=CC=CC=C63)C(=O)C7=CC=C(C=C7)OC

DOS

IR

Vibrations