Geometry & MOs

Info

ID:

416491

PubChem CID:

135089506

Reduced:

NSO4C16H23 (1)

Stoich.:

ABC4D16E23 (1)

Weight, g/mol:

709.379912

ΔHf, kcal/mol:

-177.53

Dipole, Da:

4.85

IP(EA), eV:

 -9.19(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-N-[(3R,6S,9R,12S,19S,21R)-21-hydroxy-6-(1H-indol-3-ylmethyl)-9-methyl-3-(2-methylpropyl)-2,5,8,11,18-pentaoxo-1,4,7,10,17-pentazabicyclo[17.3.0]docosan-12-yl]oxolane-2-carboxamide

Drug info:

PubChemData

Smile

C[C@]1(CCOC2([C@H]1O)CCN(CC2)C(=O)CC3=CC=CS3)O

DOS

IR

Vibrations