Geometry & MOs

Info

ID:

223904

PubChem CID:

85335742

Reduced:

SF3N3O6C34H52 (1)

Stoich.:

AB3C3D6E34F52 (1)

Weight, g/mol:

692.195059

ΔHf, kcal/mol:

-424.7

Dipole, Da:

3.76

IP(EA), eV:

 -9.19(0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[[1-(3,5-dichlorophenyl)sulfonylpyrrolidine-2-carbonyl]amino]-5-[4-[(2-ethylimidazo[4,5-c]pyridin-1-yl)methyl]piperidin-1-yl]-5-oxopentanoate

Drug info:

PubChemData

Smile

CC(C)CC(C(C(CC1CCCCC1)NC(=O)C(CC#C)NC(=O)C(CC2=CC=CC=C2)CS(=O)(=O)CCN(C)CC(F)(F)F)O)O

DOS

IR

Vibrations