Geometry & MOs

Info

ID:

95624

PubChem CID:

50010770

Reduced:

N5O5C29H39 (1)

Stoich.:

A5B5C29D39 (1)

Weight, g/mol:

547.315855

ΔHf, kcal/mol:

-188.7

Dipole, Da:

1.37

IP(EA), eV:

 -8.88(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-methyl-5-(methylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[2-methyl-6-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)OC)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC)C

DOS

IR

Vibrations