Geometry & MOs

Info

ID:

117671

PubChem CID:

50610201

Reduced:

ClN6O6C41H51 (1)

Stoich.:

AB6C6D41E51 (1)

Weight, g/mol:

718.324561

ΔHf, kcal/mol:

-230.23

Dipole, Da:

6.78

IP(EA), eV:

 -8.91(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[1-[2-methoxy-5-(propylcarbamoyl)anilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)OC)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC5=CC=CC=C5

DOS

IR

Vibrations