Geometry & MOs

Info

ID:

322961

PubChem CID:

126671649

Reduced:

ClN10O10C58H71 (1)

Stoich.:

AB10C10D58E71 (1)

Weight, g/mol:

1031.430817

ΔHf, kcal/mol:

-297.88

Dipole, Da:

12.82

IP(EA), eV:

 -8.03(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[[2-[3-[3-[4-[[2-[7-(4-chlorophenyl)-5,13-dimethyl-3-oxa-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]phenoxy]propoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-oxazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(NC2=C1C(=NC(C3=NN=C(N32)C)CC(=O)NC4=CC=C(C=C4)OCCCOCOCCOCCCOCC(=O)NC(C(=O)N5CCC[C@H]5C(=O)NCC6=CC=C(C=C6)C7=C(N=CO7)C)C(C)(C)C)C8=CC=C(C=C8)Cl)C

DOS

IR

Vibrations