Geometry & MOs

Info

ID:

116141

PubChem CID:

50549301

Reduced:

Cl2O5N6C36H46 (1)

Stoich.:

A2B5C6D36E46 (1)

Weight, g/mol:

726.306324

ΔHf, kcal/mol:

-224.92

Dipole, Da:

8.61

IP(EA), eV:

 -9.01(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-2-(cyclohexylcarbamoyl)phenyl]-1-[1-[1-[4-chloro-3-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=CC(=C1)NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C=C(C=C4)Cl)C(=O)NC5CCCC5)Cl

DOS

IR

Vibrations