Geometry & MOs

Info

ID:

420203

PubChem CID:

135111814

Reduced:

O4N5C26H35 (1)

Stoich.:

A4B5C26D35 (1)

Weight, g/mol:

645.400253

ΔHf, kcal/mol:

-114.43

Dipole, Da:

10.21

IP(EA), eV:

 -9.33(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-ethyl-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-(2-methylpropyl)pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C(=O)N3CCC4(CC3)CC(CNC(=O)CCCC5=CN(CCCO2)N=N5)OC4

DOS

IR

Vibrations