Geometry & MOs

Info

ID:

10775

PubChem CID:

107852

Reduced:

N4O5C34H34 (1)

Stoich.:

A4B5C34D34 (1)

Weight, g/mol:

578.25292

ΔHf, kcal/mol:

4.73

Dipole, Da:

9.56

IP(EA), eV:

 -8.53(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(3R,22S)-16-ethenyl-11-ethyl-4-hydroxy-3-methoxycarbonyl-12,17,26-trimethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl]propanoic acid

Drug info:

PubChemData

Smile

CCC1=C(C2=NC1=CC3=C(C4=C([C@@H](C(=C5[C@H](CC(=CC6=NC(=C2)C(=C6C)C=C)N5)CCC(=O)O)C4=N3)C(=O)OC)O)C)C

DOS

IR

Vibrations