Geometry & MOs

Info

ID:

107841

PubChem CID:

50220767

Reduced:

ClO5N6C40H49 (1)

Stoich.:

AB5C6D40E49 (1)

Weight, g/mol:

684.343547

ΔHf, kcal/mol:

-190.86

Dipole, Da:

13.15

IP(EA), eV:

 -8.55(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-benzamido-4-fluorophenyl)-1-[1-[2-[4-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=C(C=C4)C)NC(=O)C5=CC=CC=C5Cl)C

DOS

IR

Vibrations