Geometry & MOs

Info

ID:

110786

PubChem CID:

50340178

Reduced:

N3O3C19H27 (2)

Stoich.:

A3B3C19D27 (2)

Weight, g/mol:

624.343547

ΔHf, kcal/mol:

-268.53

Dipole, Da:

3.03

IP(EA), eV:

 -8.73(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(5-acetamido-2-fluoroanilino)-3-methyl-1-oxobutan-2-yl]-1-[2-[2-methyl-3-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4CCCC4)OC)C(=O)NCC(C)C

DOS

IR

Vibrations