Geometry & MOs

Info

ID:

417589

PubChem CID:

135102169

Reduced:

ClN2O3C18H25 (1)

Stoich.:

AB2C3D18E25 (1)

Weight, g/mol:

758.33225

ΔHf, kcal/mol:

-129.77

Dipole, Da:

4.73

IP(EA), eV:

-8.35(-0.16)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(4R,10S,19S)-15-(6-aminopyridine-3-carbonyl)-4-(1H-indol-3-ylmethyl)-6,10,12-trimethyl-19-(2-methylpropyl)-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)C(=O)NC3=CC(=C(C=C3)OC)Cl

DOS

IR

Vibrations