Geometry & MOs

Info

ID:

118692

PubChem CID:

50654643

Reduced:

ClN6O6C34H45 (1)

Stoich.:

AB6C6D34E45 (1)

Weight, g/mol:

666.329646

ΔHf, kcal/mol:

-245.26

Dipole, Da:

3.42

IP(EA), eV:

 -9.25(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[3-[4-(cyclopentylcarbamoyl)-2-methylanilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=C(C=C3)C(=O)N4CCOCC4)C

DOS

IR

Vibrations