Geometry & MOs

Info

ID:

181472

PubChem CID:

76748052

Reduced:

O6N9C41H47 (1)

Stoich.:

A6B9C41D47 (1)

Weight, g/mol:

632.322337

ΔHf, kcal/mol:

-161.28

Dipole, Da:

4.13

IP(EA), eV:

 -8.62(-1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 4-methyl-3-[2-[5-[4-[6-(2-pyrrolidin-2-yl-1H-imidazol-5-yl)quinoxalin-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carbonyl]pentanoate

Drug info:

PubChemData

Smile

CCC(CC(=O)OC)C(=O)N1CCCC1C2=NC=C(N2)C3=CC=C(C=C3)C4=CC5=C(C=C(C=N5)C6=CN=C(N6)C7CCCN7C(=O)C(CC)NC(=O)OC)N=C4

DOS

IR

Vibrations