Geometry & MOs

Info

ID:

115726

PubChem CID:

50532060

Reduced:

ClN6O6C32H43 (1)

Stoich.:

AB6C6D32E43 (1)

Weight, g/mol:

656.308911

ΔHf, kcal/mol:

-252.52

Dipole, Da:

13.57

IP(EA), eV:

 -8.86(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(propylcarbamoyl)anilino]-2-oxoethyl]-N-[3-[2-methoxy-5-(2-methylpropylcarbamoyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations