Geometry & MOs

Info

ID:

118751

PubChem CID:

50657424

Reduced:

Cl2O5N6C35H40 (1)

Stoich.:

A2B5C6D35E40 (1)

Weight, g/mol:

632.228074

ΔHf, kcal/mol:

-188.73

Dipole, Da:

2.7

IP(EA), eV:

 -8.67(-0.85)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-chloro-5-(dimethylcarbamoyl)anilino]-2-oxoethyl]-1-[1-[2-chloro-5-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC4=CC=CC=C4C

DOS

IR

Vibrations