Geometry & MOs

Info

ID:

108088

PubChem CID:

50229751

Reduced:

FO4N5C35H42 (1)

Stoich.:

AB4C5D35E42 (1)

Weight, g/mol:

667.297011

ΔHf, kcal/mol:

-182.98

Dipole, Da:

11.43

IP(EA), eV:

 -8.9(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C(=CC=C1)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)C(=O)NCC4=CC=C(C=C4)F)C)C

DOS

IR

Vibrations