Geometry & MOs

Info

ID:

113157

PubChem CID:

50432991

Reduced:

ClFO5N6C41H44 (1)

Stoich.:

ABC5D6E41F44 (1)

Weight, g/mol:

722.279503

ΔHf, kcal/mol:

-201.1

Dipole, Da:

7.74

IP(EA), eV:

 -8.73(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC(=C(C=C3)C(=O)NC4=CC=CC=C4)Cl)C(=O)NCC5=CC=C(C=C5)F

DOS

IR

Vibrations