Geometry & MOs

Info

ID:

118109

PubChem CID:

50629348

Reduced:

ClO5N6C32H35 (1)

Stoich.:

AB5C6D32E35 (1)

Weight, g/mol:

636.226324

ΔHf, kcal/mol:

-152.4

Dipole, Da:

6.96

IP(EA), eV:

 -8.77(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(dimethylcarbamoyl)anilino]-2-oxoethyl]-N-[2-[3-[(4-fluorophenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CN(C)C(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC=CC(=C3)C(=O)NC4=CC=CC=C4

DOS

IR

Vibrations