Geometry & MOs

Info

ID:

422798

PubChem CID:

135118425

Reduced:

ClN2O3C18H23 (1)

Stoich.:

AB2C3D18E23 (1)

Weight, g/mol:

775.3588

ΔHf, kcal/mol:

-133.67

Dipole, Da:

3.15

IP(EA), eV:

 -9.76(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,10S,19S)-4-(1H-indol-3-ylmethyl)-6,10,12-trimethyl-19-(2-methylpropyl)-15-[4-(1,2,4-triazol-1-yl)butanoyl]-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

CN1CCC[C@]2([C@H]1CN(CC2)C(=O)CC3=CC(=CC=C3)Cl)C(=O)O

DOS

IR

Vibrations