Geometry & MOs

Info

ID:

109757

PubChem CID:

50296237

Reduced:

Cl2F2O3N4H28C29 (1)

Stoich.:

A2B2C3D4E28F29 (1)

Weight, g/mol:

728.293403

ΔHf, kcal/mol:

-178.81

Dipole, Da:

8.42

IP(EA), eV:

 -9.11(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations