Geometry & MOs

Info

ID:

104831

PubChem CID:

50105737

Reduced:

ClO4N5C26H32 (1)

Stoich.:

AB4C5D26E32 (1)

Weight, g/mol:

561.331505

ΔHf, kcal/mol:

-144.52

Dipole, Da:

2.53

IP(EA), eV:

 -8.93(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-(dimethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[2-(3-methylpiperidine-1-carbonyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N(C)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=C(C=CC(=C3)C(=O)N)Cl

DOS

IR

Vibrations