Geometry & MOs

Info

ID:

96024

PubChem CID:

50018473

Reduced:

F2O4N5C39H41 (1)

Stoich.:

A2B4C5D39E41 (1)

Weight, g/mol:

649.306433

ΔHf, kcal/mol:

-201.62

Dipole, Da:

9.8

IP(EA), eV:

 -8.87(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[4-[(3-methylbenzoyl)amino]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC=CC(=C4C)C(=O)NC5=CC(=C(C=C5)C)F

DOS

IR

Vibrations