Geometry & MOs

Info

ID:

116877

PubChem CID:

50579276

Reduced:

ClN3O3C17H22 (2)

Stoich.:

AB3C3D17E22 (2)

Weight, g/mol:

700.254289

ΔHf, kcal/mol:

-259.82

Dipole, Da:

2.99

IP(EA), eV:

 -9.22(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]-N-[3-[2-chloro-5-(pyrrolidine-1-carbonyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations