Geometry & MOs

Info

ID:

118490

PubChem CID:

50644409

Reduced:

ClFO5N6C35H40 (1)

Stoich.:

ABC5D6E35F40 (1)

Weight, g/mol:

623.183288

ΔHf, kcal/mol:

-230.43

Dipole, Da:

9.8

IP(EA), eV:

 -8.98(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(propylcarbamoyl)anilino]-2-oxoethyl]-N-[1-(2,4-dichloroanilino)-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=C(C=C3)F)NC(=O)C4=CC=C(C=C4)C

DOS

IR

Vibrations