Geometry & MOs

Info

ID:

97905

PubChem CID:

50036643

Reduced:

F4O5N6C41H42 (1)

Stoich.:

A4B5C6D41E42 (1)

Weight, g/mol:

633.312661

ΔHf, kcal/mol:

-321.07

Dipole, Da:

9.43

IP(EA), eV:

 -8.99(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(2,5-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[2-methyl-3-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)NC(=O)C5=CC(=CC=C5)F)F

DOS

IR

Vibrations