Geometry & MOs

Info

ID:

115874

PubChem CID:

50537307

Reduced:

ClN6O6C38H45 (1)

Stoich.:

AB6C6D38E45 (1)

Weight, g/mol:

690.273274

ΔHf, kcal/mol:

-228.27

Dipole, Da:

7.77

IP(EA), eV:

 -8.21(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3-benzamido-4-fluorophenyl)-1-[1-[2-[4-chloro-3-(propylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C=CC(=C2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC=C(C=C4)NC(=O)C5=CC=CC=C5OC)Cl

DOS

IR

Vibrations