Geometry & MOs

Info

ID:

112523

PubChem CID:

50410226

Reduced:

F2N6O6C41H44 (1)

Stoich.:

A2B6C6D41E44 (1)

Weight, g/mol:

768.320224

ΔHf, kcal/mol:

-267.6

Dipole, Da:

9.43

IP(EA), eV:

 -8.86(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-chloro-4-(phenylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[3-[(4-fluorophenyl)methylcarbamoyl]-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)NCCC(=O)NC3=C(C=CC(=C3)NC(=O)C4=CC=CC=C4OC)F)C(=O)NCC5=CC=C(C=C5)F

DOS

IR

Vibrations