Geometry & MOs

Info

ID:

112578

PubChem CID:

50412057

Reduced:

FO5N6C40H51 (1)

Stoich.:

AB5C6D40E51 (1)

Weight, g/mol:

716.369761

ΔHf, kcal/mol:

-255.32

Dipole, Da:

9.4

IP(EA), eV:

 -8.63(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[1-[4-fluoro-3-[(3-methoxybenzoyl)amino]anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations