Geometry & MOs

Info

ID:

297689

PubChem CID:

117625811

Reduced:

SN2O2C18H20 (1)

Stoich.:

AB2C2D18E20 (1)

Weight, g/mol:

906.436127

ΔHf, kcal/mol:

-5.47

Dipole, Da:

3.48

IP(EA), eV:

 -8.78(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,20R,24S,27S)-24-cyclohexyl-N-[(1R,2S)-2-ethenyl-1-[(1-methylcyclopropyl)sulfonylcarbamoyl]cyclopropyl]-11-[3-(3-fluoroazetidin-1-yl)propoxy]-22,25-dioxo-2,21-dioxa-4,23,26-triazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5,7,9,11-pentaene-27-carboxamide

Drug info:

PubChemData

Smile

C1CSCC1(C(=O)NO)NCC2=CC=C(C=C2)C3=CC=CC=C3

DOS

IR

Vibrations