Geometry & MOs

Info

ID:

111375

PubChem CID:

50363616

Reduced:

ClO4N5C35H46 (1)

Stoich.:

AB4C5D35E46 (1)

Weight, g/mol:

601.22226

ΔHf, kcal/mol:

-190.36

Dipole, Da:

1.01

IP(EA), eV:

 -8.73(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(3,4-dichloroanilino)-2-oxoethyl]-1-[1-[2-methyl-3-(piperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC3=C(C=C(C=C3)Cl)C(=O)NC4CCCCC4)C(=O)N5CCCCC5

DOS

IR

Vibrations