Geometry & MOs

Info

ID:

98814

PubChem CID:

50046479

Reduced:

ClF2O5N6H37C38 (1)

Stoich.:

AB2C5D6E37F38 (1)

Weight, g/mol:

722.279503

ΔHf, kcal/mol:

-231.53

Dipole, Da:

13.58

IP(EA), eV:

 -8.45(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-chloro-5-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]-1-[2-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC5=CC=CC=C5C

DOS

IR

Vibrations