Geometry & MOs

Info

ID:

418026

PubChem CID:

135103346

Reduced:

ClNO2C20H26 (1)

Stoich.:

ABC2D20E26 (1)

Weight, g/mol:

797.368302

ΔHf, kcal/mol:

-72.58

Dipole, Da:

3.54

IP(EA), eV:

 -8.49(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,7S,10R,19S)-19-benzyl-15-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]-4,10,12-trimethyl-7-propan-2-yl-21-thia-3,6,9,12,15,18,23-heptazabicyclo[18.2.1]tricosa-1(22),20(23)-diene-2,5,8,11,17-pentone

Drug info:

PubChemData

Smile

CO[C@@H]1CCC[C@]12CCCN(C2)CC3=CC4=C(C=CC(=C4)Cl)OC3

DOS

IR

Vibrations