Geometry & MOs

Info

ID:

118429

PubChem CID:

50643185

Reduced:

ClN5O5C35H40 (1)

Stoich.:

AB5C5D35E40 (1)

Weight, g/mol:

612.282696

ΔHf, kcal/mol:

-165.55

Dipole, Da:

8.47

IP(EA), eV:

 -8.68(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(propylcarbamoyl)anilino]-2-oxoethyl]-N-[1-[3-methyl-4-(propanoylamino)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5)OC

DOS

IR

Vibrations