Geometry & MOs

Info

ID:

111253

PubChem CID:

50359923

Reduced:

ClN6O7C33H41 (1)

Stoich.:

AB6C7D33E41 (1)

Weight, g/mol:

557.244976

ΔHf, kcal/mol:

-261.55

Dipole, Da:

2.56

IP(EA), eV:

 -9.01(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=C(C=CC(=C3)C(=O)N4CCOCC4)Cl)C(=O)N5CCOCC5

DOS

IR

Vibrations