Geometry & MOs

Info

ID:

107733

PubChem CID:

50216755

Reduced:

FO5N6C38H47 (1)

Stoich.:

AB5C6D38E47 (1)

Weight, g/mol:

668.368619

ΔHf, kcal/mol:

-239.42

Dipole, Da:

8.06

IP(EA), eV:

 -8.85(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[1-[2-methyl-6-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=C(C=CC=C3C(=O)NC4=C(C=C(C=C4)C)F)C)C

DOS

IR

Vibrations