Geometry & MOs

Info

ID:

322838

PubChem CID:

126671320

Reduced:

N3O3C17H17 (1)

Stoich.:

A3B3C17D17 (1)

Weight, g/mol:

1030.3749

ΔHf, kcal/mol:

-17.65

Dipole, Da:

5.23

IP(EA), eV:

 -9.05(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R)-1-[(2S)-2-[[2-[6-[3-[[2-[(9S)-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]pyridin-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

C/C=C\C(=C/N=C)\C1=CC2=C(C=C1)N(N=C2C(=O)C)CC(=O)O

DOS

IR

Vibrations