Geometry & MOs

Info

ID:

322852

PubChem CID:

126671457

Reduced:

ON2C25H34 (1)

Stoich.:

AB2C25D34 (1)

Weight, g/mol:

1029.379651

ΔHf, kcal/mol:

-19.16

Dipole, Da:

1.51

IP(EA), eV:

 -8.67(0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,4R)-1-[(2S)-2-[[2-[4-[3-[[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]cyclobutyl]oxyphenyl]acetyl]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

C[C@@H]1CN(C[C@@H](N1)C)CC2=CC=C(C=C2)C3=CC=C(C=C3)COC4CCCC4

DOS

IR

Vibrations