Geometry & MOs

Info

ID:

113243

PubChem CID:

50437092

Reduced:

F2O3N4C29H30 (1)

Stoich.:

A2B3C4D29E30 (1)

Weight, g/mol:

746.335875

ΔHf, kcal/mol:

-162.9

Dipole, Da:

3.61

IP(EA), eV:

 -9.03(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-chloro-5-(piperidine-1-carbonyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[3-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCC3=CC=C(C=C3)F)C(=O)NC4=CC=C(C=C4)F

DOS

IR

Vibrations