Geometry & MOs

Info

ID:

113272

PubChem CID:

50437904

Reduced:

F3O4N5H32C35 (1)

Stoich.:

A3B4C5D32E35 (1)

Weight, g/mol:

621.275133

ΔHf, kcal/mol:

-227.31

Dipole, Da:

5.98

IP(EA), eV:

 -8.9(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[2-[(2-methylphenyl)carbamoyl]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC3=CC=CC=C3C(=O)NC4=C(C=CC(=C4)F)F)C(=O)NC5=CC=C(C=C5)F

DOS

IR

Vibrations