Geometry & MOs

Info

ID:

313578

PubChem CID:

126615970

Reduced:

N9O10C49H63 (1)

Stoich.:

A9B10C49D63 (1)

Weight, g/mol:

900.426921

ΔHf, kcal/mol:

-301.77

Dipole, Da:

11.48

IP(EA), eV:

 -8.48(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(4Z,8S,9S,10E,12S,13S,14S,16R)-19-[[6-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]amino]-6-oxohexyl]amino]-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl]carbamic acid

Drug info:

PubChemData

Smile

CC1CC(C(C(/C=C(/C(C(/C=C/C=C(\C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCCN3CCN(CC3)C(=O)C4=CC=C(C=C4)CCC5=CNC6=C5C(=O)N=C(N6)N)/C)OC)OC(=O)N)\C)C)O)OC

DOS

IR

Vibrations