Geometry & MOs

Info

ID:

186774

PubChem CID:

77480844

Reduced:

SN7O7C35H41 (1)

Stoich.:

AB7C7D35E41 (1)

Weight, g/mol:

710.266873

ΔHf, kcal/mol:

-216.38

Dipole, Da:

8.73

IP(EA), eV:

 -8.49(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[2-[5-[6-[2-[1-[2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]thieno[3,2-b]thiophen-3-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CCCCOC(=O)N1CCCC1C(=O)NC2=CN3C=C(SC3=N2)C4=CC=C(C=C4)NC(=O)C5CCCN5C(=O)C(C6=CCCC=C6)NC(=O)O

DOS

IR

Vibrations