Geometry & MOs

Info

ID:

92370

PubChem CID:

49985368

Reduced:

Cl2O4N5C33H43 (1)

Stoich.:

A2B4C5D33E43 (1)

Weight, g/mol:

700.431219

ΔHf, kcal/mol:

-190.89

Dipole, Da:

7.79

IP(EA), eV:

 -8.64(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[3-(cyclopentylcarbamoyl)-2-methylanilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[5-(cyclopentylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2CCCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C(=CC=C4)Cl)Cl

DOS

IR

Vibrations