Geometry & MOs

Info

ID:

111269

PubChem CID:

50360335

Reduced:

ClO5N6C35H47 (1)

Stoich.:

AB5C6D35E47 (1)

Weight, g/mol:

664.313996

ΔHf, kcal/mol:

-221.9

Dipole, Da:

6.72

IP(EA), eV:

 -9.16(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC(=C(C=C3)C(=O)NCC(C)C)Cl)C(=O)N4CCCCC4

DOS

IR

Vibrations