Geometry & MOs

Info

ID:

420985

PubChem CID:

135115160

Reduced:

O2N4C17H24 (1)

Stoich.:

A2B4C17D24 (1)

Weight, g/mol:

763.347566

ΔHf, kcal/mol:

-42.01

Dipole, Da:

5.94

IP(EA), eV:

 -9.08(-0.2)

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-[2-(2-oxopyrrolidin-1-yl)acetyl]-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)C3=NC=NC(=C3)C4CC4)C(=O)O

DOS

IR

Vibrations