Geometry & MOs

Info

ID:

119055

PubChem CID:

50668988

Reduced:

ClN3O3C17H21 (2)

Stoich.:

AB3C3D17E21 (2)

Weight, g/mol:

716.308911

ΔHf, kcal/mol:

-248.83

Dipole, Da:

4.36

IP(EA), eV:

 -9.07(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]-N-[3-[3-methoxy-4-[(4-methylbenzoyl)amino]anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=C(C=CC(=C4)C(=O)N5CCOCC5)Cl

DOS

IR

Vibrations