Geometry & MOs

Info

ID:

119539

PubChem CID:

50689580

Reduced:

Cl2N6O6C33H42 (1)

Stoich.:

A2B6C6D33E42 (1)

Weight, g/mol:

700.254289

ΔHf, kcal/mol:

-246.15

Dipole, Da:

6.51

IP(EA), eV:

 -9.24(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]-N-[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)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)N4CCOCC4)Cl

DOS

IR

Vibrations