Geometry & MOs

Info

ID:

110780

PubChem CID:

50339893

Reduced:

O5N6C39H48 (1)

Stoich.:

A5B6C39D48 (1)

Weight, g/mol:

684.343547

ΔHf, kcal/mol:

-188.69

Dipole, Da:

4.69

IP(EA), eV:

 -8.59(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(3-fluorophenyl)carbamoyl]phenyl]-1-[1-[2-[2-methyl-3-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=CC=CC(=C5C)C(=O)NCC(C)C

DOS

IR

Vibrations