Geometry & MOs

Info

ID:

117563

PubChem CID:

50607436

Reduced:

Cl2N6O6C37H48 (1)

Stoich.:

A2B6C6D37E48 (1)

Weight, g/mol:

760.351525

ΔHf, kcal/mol:

-267.2

Dipole, Da:

6.02

IP(EA), eV:

 -9.05(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]-N-[1-[3-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C=CC(=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)Cl)C(=O)N5CCOCC5)Cl

DOS

IR

Vibrations