Geometry & MOs

Info

ID:

116500

PubChem CID:

50563286

Reduced:

ClN6O6C30H39 (1)

Stoich.:

AB6C6D30E39 (1)

Weight, g/mol:

654.216902

ΔHf, kcal/mol:

-241.32

Dipole, Da:

12.16

IP(EA), eV:

 -8.89(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(methylcarbamoyl)anilino]-2-oxoethyl]-N-[2-[2-[(2,6-difluorophenyl)carbamoyl]-6-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations