Geometry & MOs

Info

ID:

416324

PubChem CID:

135089337

Reduced:

ClN3O3C19H28 (1)

Stoich.:

AB3C3D19E28 (1)

Weight, g/mol:

619.294074

ΔHf, kcal/mol:

-103.3

Dipole, Da:

5.22

IP(EA), eV:

 -8.52(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5R,8S,14S)-14-benzyl-5,17-dimethyl-8-propan-2-yl-10-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)-1,4,7,10,13,16,18-heptazabicyclo[13.3.0]octadeca-15,17-diene-3,6,12-trione

Drug info:

PubChemData

Smile

CCC(C)OC1=C(C=C(C=C1Cl)CN(CCO)CC2=CN=C(N2)C)OC

DOS

IR

Vibrations