Geometry & MOs

Info

ID:

111560

PubChem CID:

50372604

Reduced:

O3N4C29H38 (1)

Stoich.:

A3B4C29D38 (1)

Weight, g/mol:

645.296262

ΔHf, kcal/mol:

-115.48

Dipole, Da:

6.35

IP(EA), eV:

 -9.01(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=CC=C4)C

DOS

IR

Vibrations