Geometry & MOs

Info

ID:

96292

PubChem CID:

50019620

Reduced:

N6O6C35H50 (1)

Stoich.:

A6B6C35D50 (1)

Weight, g/mol:

606.352969

ΔHf, kcal/mol:

-254.45

Dipole, Da:

4.48

IP(EA), eV:

 -8.94(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(diethylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[3-(dimethylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=C(C=C(C=C1)NC(=O)CNC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)N(CC)CC)C)OC

DOS

IR

Vibrations