Geometry & MOs

Info

ID:

444232

PubChem CID:

135261817

Reduced:

ClSN11O12C64H82 (1)

Stoich.:

ABC11D12E64F82 (1)

Weight, g/mol:

817.371845

ΔHf, kcal/mol:

-375.28

Dipole, Da:

5.43

IP(EA), eV:

 -7.75(-1.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(3-chloro-4-cyanophenoxy)-2,2,4,4-tetramethylcyclobutyl]-4-[4-[[4-[2-(2,6-dioxopiperidin-3-yl)-1-oxoisoquinolin-6-yl]piperazin-1-yl]methyl]piperidin-1-yl]benzamide

Drug info:

PubChemData

Smile

CC1=CSC2=C(C=C3C(=C12)[C@@H](CN3C(=O)C4=CC5=C(N4)C=CC(=C5)OCCN6CCCC6)CCl)OC(=O)N(C)CC(C)(C)CN(C)C(=O)OCC7=CC=C(C=C7)N(C(=O)C(CCCN)NC(=O)C(C(C)C)NC(=O)CCCCCN8C(=O)C=CC8=O)C(=O)N

DOS

IR

Vibrations