Geometry & MOs

Info

ID:

17133

PubChem CID:

485204

Reduced:

N4O7C31H40 (2)

Stoich.:

A4B7C31D40 (2)

Weight, g/mol:

1160.579399

ΔHf, kcal/mol:

-610.69

Dipole, Da:

4.27

IP(EA), eV:

 -8.72(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[(11R,26S)-11-hydroxy-3,15-bis[(1R)-1-hydroxyethyl]-6-[2-(4-hydroxyphenyl)ethyl]-2,5,8,14,17,23-hexaoxo-18-[[4-[4-(4-pentoxyphenyl)phenyl]benzoyl]amino]-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosan-26-yl]carbamate

Drug info:

PubChemData

Smile

CCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)NC4CCCNC(=O)C5C[C@@H](CN5C(=O)C(NC(=O)C(NC(=O)C6C[C@H](CN6C(=O)C(NC4=O)[C@@H](C)O)O)CCC7=CC=C(C=C7)O)[C@@H](C)O)NC(=O)OC(C)(C)C

DOS

IR

Vibrations