Geometry & MOs

Info

ID:

116005

PubChem CID:

50543159

Reduced:

Cl2O4N5C28H35 (1)

Stoich.:

A2B4C5D28E35 (1)

Weight, g/mol:

612.282696

ΔHf, kcal/mol:

-179.94

Dipole, Da:

6.6

IP(EA), eV:

 -8.78(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations