Geometry & MOs

Info

ID:

113540

PubChem CID:

50449817

Reduced:

ClF2O4N5C35H38 (1)

Stoich.:

AB2C4D5E35F38 (1)

Weight, g/mol:

722.279503

ΔHf, kcal/mol:

-235.57

Dipole, Da:

6.27

IP(EA), eV:

 -8.59(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[5-chloro-2-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]-1-[2-[3-[(2,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC3=CC(=C(C=C3)NC(=O)C4CCCCC4)Cl)C(=O)NC5=C(C=C(C=C5)F)F

DOS

IR

Vibrations