Geometry & MOs

Info

ID:

110833

PubChem CID:

50341242

Reduced:

N3O3C19H23 (2)

Stoich.:

A3B3C19D23 (2)

Weight, g/mol:

724.374847

ΔHf, kcal/mol:

-212.03

Dipole, Da:

5.23

IP(EA), eV:

 -8.18(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)OC)C(=O)N5CCCC5

DOS

IR

Vibrations