Geometry & MOs

Info

ID:

220166

PubChem CID:

85165317

Reduced:

NSi2O4C40H49 (1)

Stoich.:

AB2C4D40E49 (1)

Weight, g/mol:

664.270856

ΔHf, kcal/mol:

-179.03

Dipole, Da:

2.47

IP(EA), eV:

 -8.91(-0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(12-cyano-8,19-dihydroxy-5,7,16,18-tetramethoxy-6,17,21-trimethyl-11,21-diazapentacyclo[11.7.1.02,11.04,9.015,20]henicosa-4(9),5,7,15(20),16,18-hexaen-10-yl)methyl]-2,6-difluorobenzamide

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)N1C(C(C1=O)CC2=CC=C(C=C2)O[Si](C3=CC=CC=C3)(C4=CC=CC=C4)C(C)(C)C)C(=O)OCC5=CC=CC=C5

DOS

IR

Vibrations