Geometry & MOs

Info

ID:

99248

PubChem CID:

50049443

Reduced:

F2O5N6C41H44 (1)

Stoich.:

A2B5C6D41E44 (1)

Weight, g/mol:

672.343547

ΔHf, kcal/mol:

-243.81

Dipole, Da:

12.04

IP(EA), eV:

 -8.9(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-(dimethylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[5-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)C)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC=CC(=C4)C(=O)NC5=CC=CC=C5F

DOS

IR

Vibrations