Geometry & MOs

Info

ID:

111021

PubChem CID:

50348729

Reduced:

ClO5N6C32H43 (1)

Stoich.:

AB5C6D32E43 (1)

Weight, g/mol:

724.374847

ΔHf, kcal/mol:

-221.85

Dipole, Da:

5.86

IP(EA), eV:

 -9.21(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(4-fluoro-2-methylphenyl)carbamoyl]phenyl]-1-[1-[2-[2-methyl-3-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C(=CC=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC(=C(C=C3)C(=O)NCCC)Cl)C

DOS

IR

Vibrations