Geometry & MOs

Info

ID:

111338

PubChem CID:

50362478

Reduced:

ClFO4N5C31H37 (1)

Stoich.:

ABC4D5E31F37 (1)

Weight, g/mol:

694.347883

ΔHf, kcal/mol:

-205.42

Dipole, Da:

6.32

IP(EA), eV:

 -8.86(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(3-methoxybenzoyl)amino]phenyl]-1-[1-[2-[2-methyl-3-(pyrrolidine-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)F)Cl)C(=O)N5CCCC5

DOS

IR

Vibrations