Geometry & MOs

Info

ID:

215700

PubChem CID:

85085108

Reduced:

SN13O13C59H83 (1)

Stoich.:

AB13C13D59E83 (1)

Weight, g/mol:

1213.550923

ΔHf, kcal/mol:

-502.95

Dipole, Da:

8.94

IP(EA), eV:

 -8.56(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-hydroxy-N-[8,11,28,31-tetramethyl-2,6,9,12,15,22,26,29,32,35-decaoxo-7,27-di(propan-2-yl)-23-(2-trimethylsilylethylsulfonylamino)-5,25-dioxa-1,8,11,14,21,28,31,34-octazatricyclo[34.4.0.016,21]tetracontan-3-yl]quinoline-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(CC1=CN=CN1)C(=O)N2CCCC2C(=O)NC(CC3=CC=CC=C3)C(=O)O)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(C(C)C)NC(=O)C(CCCN=C(N)NS(=O)(=O)C5=C(C(=C(C=C5C)OC)C)C)NC(=O)CNC

DOS

IR

Vibrations