Geometry & MOs

Info

ID:

100475

PubChem CID:

50061732

Reduced:

FN5O5C39H42 (1)

Stoich.:

AB5C5D39E42 (1)

Weight, g/mol:

663.322083

ΔHf, kcal/mol:

-193.13

Dipole, Da:

17.23

IP(EA), eV:

 -8.41(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[3-methyl-4-[(2-methylbenzoyl)amino]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations