Geometry & MOs

Info

ID:

95632

PubChem CID:

50010838

Reduced:

F2O5N6C34H38 (1)

Stoich.:

A2B5C6D34E38 (1)

Weight, g/mol:

521.263819

ΔHf, kcal/mol:

-256.7

Dipole, Da:

4.49

IP(EA), eV:

 -9.08(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(3-acetylanilino)-2-oxoethyl]-1-[1-[2-methyl-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)CNC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC)C

DOS

IR

Vibrations