Geometry & MOs

Info

ID:

100155

PubChem CID:

50058807

Reduced:

ClO4N5C36H36 (1)

Stoich.:

AB4C5D36E36 (1)

Weight, g/mol:

575.229932

ΔHf, kcal/mol:

-94.14

Dipole, Da:

7.73

IP(EA), eV:

 -8.67(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-3-(propanoylamino)phenyl]-1-[2-[2-methyl-5-(phenylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5C)Cl

DOS

IR

Vibrations