Geometry & MOs

Info

ID:

98103

PubChem CID:

50039712

Reduced:

FO5N6C40H43 (1)

Stoich.:

AB5C6D40E43 (1)

Weight, g/mol:

746.283981

ΔHf, kcal/mol:

-201.0

Dipole, Da:

8.3

IP(EA), eV:

 -8.41(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(=O)NC2=CC=C(C=C2)NC(=O)C(C)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NC5=C(C=C(C=C5)F)C)C

DOS

IR

Vibrations