Geometry & MOs

Info

ID:

186771

PubChem CID:

77480841

Reduced:

SO6N10C36H42 (1)

Stoich.:

AB6C10D36E42 (1)

Weight, g/mol:

774.315932

ΔHf, kcal/mol:

-141.64

Dipole, Da:

6.67

IP(EA), eV:

 -8.57(-1.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[1-[2-[[2-[4-[[1-[2-cyclohexa-1,5-dien-1-yl-2-(methoxycarbonylamino)acetyl]pyrrolidine-2-carbonyl]amino]phenyl]imidazo[2,1-b][1,3]thiazol-6-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCCC1C2=NC=C(N2)C3=CC=C(C=C3)C4=CN5C=C(SC5=N4)C6=CN=C(N6)C7CCCN7C(=O)CNC(=O)OC)NC(=O)OC

DOS

IR

Vibrations