Geometry & MOs

Info

ID:

100649

PubChem CID:

50063412

Reduced:

FN5O5C37H38 (1)

Stoich.:

AB5C5D37E38 (1)

Weight, g/mol:

635.290783

ΔHf, kcal/mol:

-181.78

Dipole, Da:

16.0

IP(EA), eV:

 -8.39(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-methyl-4-[(3-methylbenzoyl)amino]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)F)NC(=O)CN3CCC(CC3)C(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC=C(C=C5)OC)C

DOS

IR

Vibrations