Geometry & MOs

Info

ID:

186775

PubChem CID:

77480845

Reduced:

S2O6N8C33H42 (1)

Stoich.:

A2B6C8D33E42 (1)

Weight, g/mol:

734.266873

ΔHf, kcal/mol:

-186.16

Dipole, Da:

4.82

IP(EA), eV:

 -8.73(-1.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[2-[5-[2-[6-[2-[1-[2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]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)N1CCCC1C2=NC=C(N2)C3=CSC4=C3SC=C4C5=CN=C(N5)C6CCCN6C(=O)C(C(C)C)NC(=O)OC)NC(=O)O

DOS

IR

Vibrations