Geometry & MOs

Info

ID:

190065

PubChem CID:

77947924

Reduced:

O4N7C40H49 (1)

Stoich.:

A4B7C40D49 (1)

Weight, g/mol:

642.194666

ΔHf, kcal/mol:

-39.6

Dipole, Da:

7.0

IP(EA), eV:

 -8.27(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2-aminoethyl)-2-[4-[4,5-bis(4-chlorophenyl)-2-(3-ethoxythiophen-2-yl)-4,5-dihydroimidazole-1-carbonyl]piperazin-1-yl]-N-methylacetamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(C(C1)C(=O)N(CC2CN(C3=CC=CC=C23)CCCOC)C4CC4)C5=CC=CC(=C5)C6=CC=C(C=C6)C7=NNN=N7

DOS

IR

Vibrations