Geometry & MOs

Info

ID:

118713

PubChem CID:

50655309

Reduced:

Cl2O5N6C32H42 (1)

Stoich.:

A2B5C6D32E42 (1)

Weight, g/mol:

674.275024

ΔHf, kcal/mol:

-231.98

Dipole, Da:

6.85

IP(EA), eV:

 -9.04(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-2-(2-methylpropylcarbamoyl)anilino]-1-oxopropan-2-yl]-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)NC(C)C(=O)NC3=C(C=C(C=C3)Cl)C(=O)NCCC

DOS

IR

Vibrations