Geometry & MOs

Info

ID:

105627

PubChem CID:

50130711

Reduced:

F2O5N6C42H46 (1)

Stoich.:

A2B5C6D42E46 (1)

Weight, g/mol:

714.390497

ΔHf, kcal/mol:

-250.06

Dipole, Da:

8.27

IP(EA), eV:

 -8.8(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)C)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=CC=CC(=C4)C(=O)NC5=CC=C(C=C5)F

DOS

IR

Vibrations