Geometry & MOs

Info

ID:

109028

PubChem CID:

50269323

Reduced:

FN6O6C41H45 (1)

Stoich.:

AB6C6D41E45 (1)

Weight, g/mol:

566.185146

ΔHf, kcal/mol:

-236.44

Dipole, Da:

10.41

IP(EA), eV:

 -8.18(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(3,4-dichlorophenyl)-1-[1-[2-methyl-4-[(2-methylphenyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC=CC=C5OC)C)C)F

DOS

IR

Vibrations