Geometry & MOs

Info

ID:

118932

PubChem CID:

50664209

Reduced:

ClO5N6C35H45 (1)

Stoich.:

AB5C6D35E45 (1)

Weight, g/mol:

678.329646

ΔHf, kcal/mol:

-204.18

Dipole, Da:

11.42

IP(EA), eV:

 -9.08(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)N2CCCC2)NC(=O)CNC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)N5CCCCC5)Cl

DOS

IR

Vibrations