Geometry & MOs

Info

ID:

95936

PubChem CID:

50017009

Reduced:

N5O5C32H43 (1)

Stoich.:

A5B5C32D43 (1)

Weight, g/mol:

615.322083

ΔHf, kcal/mol:

-196.17

Dipole, Da:

4.25

IP(EA), eV:

 -9.14(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC=CC=C3C(=O)N4CCOCC4

DOS

IR

Vibrations