Geometry & MOs

Info

ID:

119080

PubChem CID:

50669502

Reduced:

ClF2O5N6C40H47 (1)

Stoich.:

AB2C5D6E40F47 (1)

Weight, g/mol:

764.326453

ΔHf, kcal/mol:

-282.59

Dipole, Da:

4.18

IP(EA), eV:

 -9.12(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]-N-[1-[2-[(2,6-difluorophenyl)carbamoyl]anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC=CC=C4C(=O)NC5=C(C=CC(=C5)F)F

DOS

IR

Vibrations