Geometry & MOs

Info

ID:

117914

PubChem CID:

50620326

Reduced:

Cl2O5N6C36H40 (1)

Stoich.:

A2B5C6D36E40 (1)

Weight, g/mol:

736.313996

ΔHf, kcal/mol:

-188.13

Dipole, Da:

10.53

IP(EA), eV:

 -8.81(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-benzamido-4-methylanilino)-3-methyl-1-oxobutan-2-yl]-1-[2-[4-chloro-3-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=CC(=C1)Cl)C(=O)NC2CCCC2)NC(=O)C3CCN(CC3)CC(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC5=CC=CC=C5

DOS

IR

Vibrations