Geometry & MOs

Info

ID:

111433

PubChem CID:

50366761

Reduced:

O5N6C37H52 (1)

Stoich.:

A5B6C37D52 (1)

Weight, g/mol:

690.297739

ΔHf, kcal/mol:

-234.91

Dipole, Da:

8.06

IP(EA), eV:

 -8.85(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-[(2,4-difluorophenyl)carbamoyl]anilino]-3-oxopropyl]-1-[2-[2-methyl-3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)NC4CCCCC4)C

DOS

IR

Vibrations