Geometry & MOs

Info

ID:

116327

PubChem CID:

50556501

Reduced:

ClFO5N6C39H46 (1)

Stoich.:

ABC5D6E39F46 (1)

Weight, g/mol:

706.360946

ΔHf, kcal/mol:

-237.93

Dipole, Da:

9.72

IP(EA), eV:

 -8.62(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[4-chloro-3-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[3-(cyclohexanecarbonylamino)-4-methylphenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=CC(=C1)NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=C(C=C4)C)NC(=O)CC5=CC=C(C=C5)F)Cl

DOS

IR

Vibrations