Geometry & MOs

Info

ID:

117415

PubChem CID:

50602287

Reduced:

Cl2N5O5C31H39 (1)

Stoich.:

A2B5C5D31E39 (1)

Weight, g/mol:

672.259374

ΔHf, kcal/mol:

-216.93

Dipole, Da:

4.05

IP(EA), eV:

 -8.74(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(cyclopentylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[2-[3-chloro-4-(propylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Cl)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)N4CCOCC4

DOS

IR

Vibrations