Geometry & MOs

Info

ID:

111360

PubChem CID:

50363328

Reduced:

FO5N6C35H45 (1)

Stoich.:

AB5C6D35E45 (1)

Weight, g/mol:

672.343547

ΔHf, kcal/mol:

-249.46

Dipole, Da:

6.83

IP(EA), eV:

 -8.59(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-[(2-fluoro-4-methylphenyl)carbamoyl]anilino]-1-oxopropan-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)N3CCCC3C(=O)NC4=C(C=CC(=C4)NC(=O)C(C)C)F)C(=O)N5CCCC5

DOS

IR

Vibrations