Geometry & MOs

Info

ID:

322991

PubChem CID:

126671685

Reduced:

SN6O6C27H38 (1)

Stoich.:

AB6C6D27E38 (1)

Weight, g/mol:

1077.40078

ΔHf, kcal/mol:

-216.81

Dipole, Da:

8.57

IP(EA), eV:

 -8.96(-1.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-1-[2-[[2-[3-[2-[5-[[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]-2-hydroxyphenoxy]ethoxy]propoxy]acetyl]amino]-3,3-dimethylbutanoyl]-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCC1=NN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCC(CC4)NC(=O)OC(C)(C)C)OCC)C

DOS

IR

Vibrations