Geometry & MOs

Info

ID:

181128

PubChem CID:

76715640

Reduced:

S2N3O6C38H45 (1)

Stoich.:

A2B3C6D38E45 (1)

Weight, g/mol:

622.2313

ΔHf, kcal/mol:

-162.37

Dipole, Da:

2.2

IP(EA), eV:

 -8.88(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 18-(1,3-benzothiazol-2-yloxy)-14-[(3,5-difluorophenyl)methyl]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CC2CCCCCC=CC3CC3(CC(=O)C4CC(CN4C2=O)OC5=NC6=C(S5)C=C(C=C6)C)C(=O)NS(=O)(=O)C7CC7

DOS

IR

Vibrations