Geometry & MOs

Info

ID:

186768

PubChem CID:

77480838

Reduced:

N5O5C23H29 (1)

Stoich.:

A5B5C23D29 (1)

Weight, g/mol:

810.298174

ΔHf, kcal/mol:

-129.4

Dipole, Da:

5.53

IP(EA), eV:

 -8.29(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[2-[5-[2-[6-[4-[2-[1-[2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]thieno[3,2-b]thiophen-3-yl]ethynyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCCC1C(=O)NC2=CN3C=C(N=C3O2)C4=CCCC=C4)NC(=O)OC

DOS

IR

Vibrations