Geometry & MOs

Info

ID:

119472

PubChem CID:

50686617

Reduced:

ClN3O3C17H22 (2)

Stoich.:

AB3C3D17E22 (2)

Weight, g/mol:

706.243724

ΔHf, kcal/mol:

-262.51

Dipole, Da:

5.81

IP(EA), eV:

 -9.21(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-[(2-chlorobenzoyl)amino]anilino]-1-oxopropan-2-yl]-1-[1-[2-chloro-5-(pyrrolidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)N4CCOCC4)Cl

DOS

IR

Vibrations