Geometry & MOs

Info

ID:

167460

PubChem CID:

74830468

Reduced:

PN6O12C38H55 (1)

Stoich.:

AB6C12D38E55 (1)

Weight, g/mol:

604.175644

ΔHf, kcal/mol:

-564.68

Dipole, Da:

6.98

IP(EA), eV:

 -9.1(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[(4-cyanophenyl)methyl]-7-(3,5-dichlorophenyl)-N-[1-(3,3-dimethylpyrrolidine-1-carbonyl)cyclopropyl]-5-methyl-6-oxoimidazo[1,2-a]imidazole-3-carboxamide

Drug info:

PubChemData

Smile

CCCCOC(=O)N1CCN(CC1)C(=O)C(CP(=O)(OCOC(=O)C(C)C)OCOC(=O)C(C)C)NC(=O)C2=CC(=NC(=N2)C3=CC=CC=C3)N4CCC(C4)OC

DOS

IR

Vibrations