Geometry & MOs

Info

ID:

186773

PubChem CID:

77480843

Reduced:

O7N9C39H47 (1)

Stoich.:

A7B9C39D47 (1)

Weight, g/mol:

703.278818

ΔHf, kcal/mol:

-192.87

Dipole, Da:

5.37

IP(EA), eV:

 -8.66(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[2-[[4-[6-[(1-butoxycarbonylpyrrolidine-2-carbonyl)amino]imidazo[2,1-b][1,3]thiazol-2-yl]phenyl]carbamoyl]pyrrolidin-1-yl]-1-cyclohexa-1,5-dien-1-yl-2-oxoethyl]carbamic acid

Drug info:

PubChemData

Smile

CC(C)C(C(=O)N1CCCC1C2=NC=C(N2)C3=CC=C(C=C3)C4=CNC5=C4OC=C5C6=CN=C(N6)C7CCCN7C(=O)C(C(C)C)NC(=O)OC)NC(=O)O

DOS

IR

Vibrations