Geometry & MOs

Info

ID:

417188

PubChem CID:

135091604

Reduced:

N2O3C13H22 (1)

Stoich.:

A2B3C13D22 (1)

Weight, g/mol:

667.348218

ΔHf, kcal/mol:

-127.12

Dipole, Da:

7.6

IP(EA), eV:

 -9.3(-0.27)

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-methyl-1-oxophthalazin-2-yl)acetamide

Drug info:

PubChemData

Smile

CC(C)CN(CC1=COC(=N1)C(C)C)CC(=O)O

DOS

IR

Vibrations