Geometry & MOs

Info

ID:

114770

PubChem CID:

50496384

Reduced:

FN2O2C13H13 (3)

Stoich.:

AB2C2D13E13 (3)

Weight, g/mol:

728.293403

ΔHf, kcal/mol:

-306.5

Dipole, Da:

8.73

IP(EA), eV:

 -8.54(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations