Geometry & MOs

Info

ID:

95315

PubChem CID:

50008129

Reduced:

ClO5N6C31H39 (1)

Stoich.:

AB5C6D31E39 (1)

Weight, g/mol:

624.282696

ΔHf, kcal/mol:

-195.56

Dipole, Da:

4.11

IP(EA), eV:

 -9.24(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=C(C=CC(=C3)C(=O)N4CCCCC4)Cl

DOS

IR

Vibrations