Geometry & MOs

Info

ID:

95503

PubChem CID:

50009890

Reduced:

ClO5N6C34H43 (1)

Stoich.:

AB5C6D34E43 (1)

Weight, g/mol:

567.261232

ΔHf, kcal/mol:

-200.83

Dipole, Da:

13.88

IP(EA), eV:

 -8.8(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-3-(piperidine-1-carbonyl)phenyl]-1-[1-[2-methyl-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC(=C(C=C4)C(=O)N5CCCC5)Cl

DOS

IR

Vibrations