Geometry & MOs

Info

ID:

186772

PubChem CID:

77480842

Reduced:

SN8O8C38H46 (1)

Stoich.:

AB8C8D38E46 (1)

Weight, g/mol:

753.359845

ΔHf, kcal/mol:

-266.11

Dipole, Da:

5.89

IP(EA), eV:

 -8.46(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[2-[5-[4-[3-[2-[1-[2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-4H-furo[3,2-b]pyrrol-6-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)N1CCCC1C(=O)NC2=CN3C=C(SC3=N2)C4=CC=C(C=C4)NC(=O)C5CCCN5C(=O)C(C6=CCCC=C6)NC(=O)OC)NC(=O)OC

DOS

IR

Vibrations