Geometry & MOs

Info

ID:

114281

PubChem CID:

50477173

Reduced:

F2O4N5C38H39 (1)

Stoich.:

A2B4C5D38E39 (1)

Weight, g/mol:

653.281361

ΔHf, kcal/mol:

-194.55

Dipole, Da:

5.96

IP(EA), eV:

 -8.8(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[2-methyl-5-[(2-methylphenyl)carbamoyl]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations