Geometry & MOs

Info

ID:

118764

PubChem CID:

50658085

Reduced:

ClF2O4N5C30H36 (1)

Stoich.:

AB2C4D5E30F36 (1)

Weight, g/mol:

700.313996

ΔHf, kcal/mol:

-253.74

Dipole, Da:

4.89

IP(EA), eV:

 -9.04(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[2-chloro-5-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[2-methyl-5-(phenylcarbamoyl)phenyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations