Geometry & MOs

Info

ID:

112184

PubChem CID:

50398173

Reduced:

Cl2O4N5C30H37 (1)

Stoich.:

A2B4C5D30E37 (1)

Weight, g/mol:

601.22226

ΔHf, kcal/mol:

-180.15

Dipole, Da:

6.69

IP(EA), eV:

 -8.86(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[1-(2,5-dichloroanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=C(C=C3)Cl)Cl)C(=O)NC4CCCC4

DOS

IR

Vibrations