Geometry & MOs

Info

ID:

95838

PubChem CID:

50015609

Reduced:

N5O5C35H49 (1)

Stoich.:

A5B5C35D49 (1)

Weight, g/mol:

615.322083

ΔHf, kcal/mol:

-211.55

Dipole, Da:

10.9

IP(EA), eV:

 -8.8(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[5-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylphenyl]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=C(C=CC(=C3)C(=O)N4CCCC(C4)C)OC

DOS

IR

Vibrations