Geometry & MOs

Info

ID:

186777

PubChem CID:

77480847

Reduced:

SO3N4C22H24 (2)

Stoich.:

AB3C4D22E24 (2)

Weight, g/mol:

788.342815

ΔHf, kcal/mol:

-148.37

Dipole, Da:

5.68

IP(EA), eV:

 -8.23(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[2-[[2-[4-[2-[1-[2-(carboxyamino)-3-methylbutanoyl]pyrrolidin-2-yl]imidazolidin-4-yl]phenyl]-2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-yl]carbamoyl]piperazin-1-yl]-2-oxo-1-phenylethyl]carbamic acid

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCCC1C2=NC=C(N2)C3=CC=C(C=C3)C4=CSC5=C4SC=C5C6=CC=C(C=C6)C7=CN=C(N7)C8CCCN8C(=O)C(C(C)C)NC(=O)O)NC(=O)O

DOS

IR

Vibrations