Geometry & MOs

Info

ID:

181055

PubChem CID:

76715567

Reduced:

ClS2N3O6C36H40 (1)

Stoich.:

AB2C3D6E36F40 (1)

Weight, g/mol:

703.274979

ΔHf, kcal/mol:

-157.24

Dipole, Da:

1.45

IP(EA), eV:

 -9.18(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-benzyl-18-[(6-methyl-1,3-benzothiazol-2-yl)oxy]-N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide

Drug info:

PubChemData

Smile

C1CCC=CC2CC2(CC(=O)C3CC(CN3C(=O)C(CC1)CC4=CC=CC=C4)OC5=NC6=C(S5)C=C(C=C6)Cl)C(=O)NS(=O)(=O)C7CC7

DOS

IR

Vibrations