Geometry & MOs

Info

ID:

96716

PubChem CID:

50023858

Reduced:

FO5N6C42H47 (1)

Stoich.:

AB5C6D42E47 (1)

Weight, g/mol:

722.22276

ΔHf, kcal/mol:

-208.99

Dipole, Da:

7.25

IP(EA), eV:

 -8.78(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-bromo-3-(dimethylcarbamoyl)anilino]-2-oxoethyl]-1-[1-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=CC(=CC=C2)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)NCC5=CC=C(C=C5)F)C

DOS

IR

Vibrations