Geometry & MOs

Info

ID:

116132

PubChem CID:

50549061

Reduced:

ClO5N6C29H35 (1)

Stoich.:

AB5C6D29E35 (1)

Weight, g/mol:

698.275024

ΔHf, kcal/mol:

-189.95

Dipole, Da:

6.33

IP(EA), eV:

 -8.94(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)N4CCCC4)C(=O)N

DOS

IR

Vibrations