Geometry & MOs

Info

ID:

98058

PubChem CID:

50038888

Reduced:

FN2O2C15H16 (2)

Stoich.:

AB2C2D15E16 (2)

Weight, g/mol:

716.349775

ΔHf, kcal/mol:

-205.83

Dipole, Da:

11.04

IP(EA), eV:

 -8.5(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC=C(C=C4)OC

DOS

IR

Vibrations