Geometry & MOs

Info

ID:

97251

PubChem CID:

50029172

Reduced:

ClF2O5N6H37C38 (1)

Stoich.:

AB2C5D6E37F38 (1)

Weight, g/mol:

744.263852

ΔHf, kcal/mol:

-224.51

Dipole, Da:

6.56

IP(EA), eV:

 -8.94(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-chloro-5-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]-1-[2-[5-[(2,5-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(=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5)Cl

DOS

IR

Vibrations