Geometry & MOs

Info

ID:

118240

PubChem CID:

50635704

Reduced:

ClFO4N5C27H33 (1)

Stoich.:

ABC4D5E27F33 (1)

Weight, g/mol:

571.256147

ΔHf, kcal/mol:

-201.58

Dipole, Da:

4.23

IP(EA), eV:

 -9.11(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC=CC=C3F

DOS

IR

Vibrations