Geometry & MOs

Info

ID:

91728

PubChem CID:

49978477

Reduced:

N3O3C19H23 (2)

Stoich.:

A3B3C19D23 (2)

Weight, g/mol:

686.322811

ΔHf, kcal/mol:

-217.22

Dipole, Da:

5.34

IP(EA), eV:

 -8.42(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[3-[(2-fluorophenyl)carbamoyl]anilino]-3-oxopropyl]-1-[1-[2-methyl-5-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCOCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC=C(C=C4)NC(=O)C5=CC=CC=C5C

DOS

IR

Vibrations