Geometry & MOs

Info

ID:

104512

PubChem CID:

50104454

Reduced:

ClN5O5C30H40 (1)

Stoich.:

AB5C5D30E40 (1)

Weight, g/mol:

589.22226

ΔHf, kcal/mol:

-203.26

Dipole, Da:

6.63

IP(EA), eV:

 -8.69(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3,5-dichloroanilino)-3-methyl-1-oxobutan-2-yl]-1-[2-[4-(dimethylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N(C)C)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=CC(=C3)Cl)OC

DOS

IR

Vibrations