Geometry & MOs

Info

ID:

108896

PubChem CID:

50264039

Reduced:

F2O4N5C33H37 (1)

Stoich.:

A2B4C5D33E37 (1)

Weight, g/mol:

758.279503

ΔHf, kcal/mol:

-230.7

Dipole, Da:

7.54

IP(EA), eV:

 -8.83(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=C(C=C3)C(=O)NC4=CC(=C(C=C4)F)F)C

DOS

IR

Vibrations