Geometry & MOs

Info

ID:

95872

PubChem CID:

50016192

Reduced:

N5O5C33H45 (1)

Stoich.:

A5B5C33D45 (1)

Weight, g/mol:

579.322083

ΔHf, kcal/mol:

-194.39

Dipole, Da:

7.75

IP(EA), eV:

 -8.65(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-[5-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carbonyl]-N-[(4-fluorophenyl)methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)N3CCCC3C(=O)NCC4=CC=C(C=C4)OC

DOS

IR

Vibrations