Geometry & MOs

Info

ID:

114616

PubChem CID:

50489890

Reduced:

F3N6O6C40H41 (1)

Stoich.:

A3B6C6D40E41 (1)

Weight, g/mol:

716.349775

ΔHf, kcal/mol:

-316.85

Dipole, Da:

11.4

IP(EA), eV:

 -8.46(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC(=C(C=C3)OC)NC(=O)C4=CC=CC=C4F)C(=O)NC5=CC(=C(C=C5)F)F

DOS

IR

Vibrations