Geometry & MOs

Info

ID:

186776

PubChem CID:

77480846

Reduced:

S2O6N8C35H42 (1)

Stoich.:

A2B6C8D35E42 (1)

Weight, g/mol:

848.313824

ΔHf, kcal/mol:

-130.88

Dipole, Da:

9.0

IP(EA), eV:

 -8.65(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCCC1C2=NC=C(N2)C#CC3=CSC4=C3SC=C4C5=CN=C(N5)C6CCCN6C(=O)C(C(C)C)NC(=O)OC)NC(=O)O

DOS

IR

Vibrations