Geometry & MOs

Info

ID:

111383

PubChem CID:

50363951

Reduced:

FO5N6C39H45 (1)

Stoich.:

AB5C6D39E45 (1)

Weight, g/mol:

708.363533

ΔHf, kcal/mol:

-210.74

Dipole, Da:

4.66

IP(EA), eV:

 -8.58(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(3-methoxybenzoyl)amino]phenyl]-1-[1-[2-[2-methyl-3-(piperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=C(C=C4)NC(=O)C5=CC(=CC=C5)F)C(=O)N6CCCCC6

DOS

IR

Vibrations