Geometry & MOs

Info

ID:

177286

PubChem CID:

76160697

Reduced:

N4O5C26H26 (1)

Stoich.:

A4B5C26D26 (1)

Weight, g/mol:

530.133457

ΔHf, kcal/mol:

-124.94

Dipole, Da:

7.86

IP(EA), eV:

 -8.55(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[1-(hydroxymethyl)-6-[(3-methoxyphenyl)sulfonylamino]-3,4,4a,9a-tetrahydro-1H-pyrano[3,4-b][1]benzofuran-3-yl]-N-(2,2,2-trifluoroethyl)acetamide

Drug info:

PubChemData

Smile

C1C(OC(C2C1C3=C(O2)C=CC(=C3)NC(=O)C4=CN=CC=C4)CO)CC(=O)NCC5=CC=CC=N5

DOS

IR

Vibrations