Geometry & MOs

Info

ID:

422952

PubChem CID:

135118672

Reduced:

O4N5C28H35 (1)

Stoich.:

A4B5C28D35 (1)

Weight, g/mol:

746.368636

ΔHf, kcal/mol:

-65.54

Dipole, Da:

6.02

IP(EA), eV:

 -8.59(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R,10S,19S)-15-[(1-ethylpyrazol-3-yl)methyl]-4-(1H-indol-3-ylmethyl)-6,10,12-trimethyl-19-(2-methylpropyl)-21-thia-3,6,9,12,15,18,23-heptazabicyclo[18.2.1]tricosa-1(22),20(23)-diene-2,5,8,11,17-pentone

Drug info:

PubChemData

Smile

CC1=C2C=C(C=C1)C(=O)NCC3CCN(CC3)CC4=C(C(=CC=C4)OC)OCC5=CN(CCCO2)N=N5

DOS

IR

Vibrations