Geometry & MOs

Info

ID:

420701

PubChem CID:

135114681

Reduced:

FO2N3C15H20 (1)

Stoich.:

AB2C3D15E20 (1)

Weight, g/mol:

606.298825

ΔHf, kcal/mol:

-82.42

Dipole, Da:

2.12

IP(EA), eV:

 -8.98(-0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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]-2,4-dimethyl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=CN1)CN(CCO)CC2=C(C(=CC=C2)OC)F

DOS

IR

Vibrations