Geometry & MOs

Info

ID:

106721

PubChem CID:

50173767

Reduced:

ClN5O5C31H38 (1)

Stoich.:

AB5C5D31E38 (1)

Weight, g/mol:

724.374847

ΔHf, kcal/mol:

-193.03

Dipole, Da:

3.55

IP(EA), eV:

 -8.99(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[4-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[3-[(2-fluorophenyl)carbamoyl]-2-methylphenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCOCC2)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=CC(=C4)Cl)C(=O)N5CCCC5

DOS

IR

Vibrations