Geometry & MOs

Info

ID:

414698

PubChem CID:

135087657

Reduced:

ClSO2N3C22H28 (1)

Stoich.:

ABC2D3E22F28 (1)

Weight, g/mol:

578.321668

ΔHf, kcal/mol:

-41.44

Dipole, Da:

3.91

IP(EA), eV:

 -8.71(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-N-[(3R,7R,10S,13S,15R)-3-(1H-indol-3-ylmethyl)-7-methyl-2,5,12-trioxo-10-propan-2-yl-1,4,11-triazabicyclo[11.3.0]hexadecan-15-yl]-5-oxopyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCNC(=O)[C@]1(C[C@H]2CC[C@@H]1N2CC3=CC(=C(C=C3)OCC)Cl)CC4=CSC=N4

DOS

IR

Vibrations