Geometry & MOs

Info

ID:

415318

PubChem CID:

135088312

Reduced:

ClN2O3C20H21 (1)

Stoich.:

AB2C3D20E21 (1)

Weight, g/mol:

690.277044

ΔHf, kcal/mol:

-71.93

Dipole, Da:

6.85

IP(EA), eV:

 -9.04(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,13S,19S)-4-benzyl-7-methyl-19-(2-methylpropyl)-13-propan-2-yl-15-(thiophene-2-carbonyl)-21-thia-3,6,8,9,12,15,18,23-octazatricyclo[18.2.1.05,9]tricosa-1(22),5,7,20(23)-tetraene-2,11,17-trione

Drug info:

PubChemData

Smile

C1CN(CCN(C1)C(=O)C2=CC=C(O2)Cl)C(=O)C3CCC4=CC=CC=C34

DOS

IR

Vibrations