Geometry & MOs

Info

ID:

108854

PubChem CID:

50261537

Reduced:

F3O5N6C39H39 (1)

Stoich.:

A3B5C6D39E39 (1)

Weight, g/mol:

746.283981

ΔHf, kcal/mol:

-279.98

Dipole, Da:

7.64

IP(EA), eV:

 -8.92(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[2-[(3,4-difluorophenyl)carbamoyl]anilino]-3-oxopropyl]-1-[1-[4-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC=CC=C4C(=O)NC5=CC(=CC=C5)F

DOS

IR

Vibrations