Geometry & MOs

Info

ID:

181367

PubChem CID:

76735436

Reduced:

SN2O9C35H42 (1)

Stoich.:

AB2C9D35E42 (1)

Weight, g/mol:

783.340081

ΔHf, kcal/mol:

-282.43

Dipole, Da:

4.37

IP(EA), eV:

 -8.9(-0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-(2-cyclopropylsulfonylacetyl)-14-[(2-methylpropan-2-yl)oxycarbonylamino]-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-en-18-yl] 3,4,7,9-tetrahydro-2H-[1,4]dioxepino[2,3-f]isoindole-8-carboxylate

Drug info:

PubChemData

Smile

C1CCN(C(=O)C2CC(CC2C(=O)CC3(CC3C=CC1)C(=O)CS(=O)(=O)C4CC4)OC(=O)N5CC6=C(C5)C7=C(C=C6)OCO7)C8CC8

DOS

IR

Vibrations