Geometry & MOs

Info

ID:

323029

PubChem CID:

126671823

Reduced:

FSN4O4C29H37 (1)

Stoich.:

ABC4D4E29F37 (1)

Weight, g/mol:

1034.369814

ΔHf, kcal/mol:

-157.38

Dipole, Da:

5.07

IP(EA), eV:

 -9.45(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4R)-1-[(2S)-2-[[2-[6-[(2S)-1-[[2-[7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]propan-2-yl]oxypyridin-3-yl]oxyacetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C2=CC=C(C=C2)C(CF)NC(=O)C3CC(CN3C(=O)C(C4=CC(=NO4)C(C)(C)C)C(C)C)O

DOS

IR

Vibrations